 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer05_STD_M11_augccpVDZ.in
 Output=30_ibuprofen_conformer05_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-19008.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19020.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer05_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer05_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.709910000000      0.670807000000     -0.967581000000
  C                                                -1.514787000000     -0.421985000000     -0.641507000000
  C                                                 0.592878000000      0.771936000000     -0.502207000000
  C                                                 1.137615000000     -0.225982000000      0.304676000000
  C                                                 0.347678000000     -1.327177000000      0.619024000000
  C                                                -0.957714000000     -1.421755000000      0.154368000000
  C                                                -2.940864000000     -0.508394000000     -1.117499000000
  C                                                -3.987455000000      0.128199000000     -0.171742000000
  C                                                -3.779028000000      1.632708000000     -0.004548000000
  C                                                -4.041131000000     -0.569211000000      1.186803000000
  C                                                 2.555065000000     -0.110902000000      0.841195000000
  C                                                 3.512909000000      0.020089000000     -0.327512000000
  O                                                 3.916643000000      1.053908000000     -0.793769000000
  O                                                 3.856696000000     -1.186888000000     -0.831471000000
  H                                                -1.108539000000      1.453325000000     -1.601421000000
  H                                                 1.197146000000      1.626236000000     -0.780243000000
  H                                                 0.758326000000     -2.121930000000      1.230081000000
  H                                                -1.550996000000     -2.291094000000      0.409882000000
  H                                                -3.207271000000     -1.558295000000     -1.263900000000
  H                                                -3.023252000000     -0.023303000000     -2.093508000000
  H                                                -4.956106000000     -0.021345000000     -0.661200000000
  H                                                -3.767687000000      2.144305000000     -0.969553000000
  H                                                -2.833997000000      1.845956000000      0.498551000000
  H                                                -4.580691000000      2.067606000000      0.595584000000
  H                                                -3.105962000000     -0.437299000000      1.734311000000
  H                                                -4.217867000000     -1.641741000000      1.078812000000
  H                                                -4.845765000000     -0.157244000000      1.799012000000
  H                                                 2.793783000000     -1.046687000000      1.348092000000
  C                                                 2.714984000000      1.060322000000      1.812332000000
  H                                                 4.422318000000     -1.021428000000     -1.602212000000
  H                                                 2.519413000000      2.006373000000      1.310475000000
  H                                                 3.727494000000      1.097018000000      2.216623000000
  H                                                 2.011507000000      0.951447000000      2.637725000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395832   0.000000
     3  C    1.387104   2.426335   0.000000
     4  C    2.415826   2.822927   1.394145   0.000000
     5  C    2.761838   2.424270   2.392396   1.391203   0.000000
     6  C    2.387256   1.394018   2.765449   2.417203   1.388848
     7  C    2.527874   1.505899   3.808564   4.328548   3.807943
     8  C    3.416151   2.576329   4.637139   5.159337   4.640777
     9  C    3.357405   3.123182   4.483543   5.265333   5.116587
    10  C    4.156447   3.121988   5.111308   5.264538   4.489825
    11  C    3.813503   4.342680   2.536594   1.519954   2.530068
    12  C    4.320338   5.056852   3.020327   2.470270   3.567877
    13  O    4.645640   5.630442   3.348422   3.250799   4.516975
    14  O    4.931881   5.428996   3.820722   3.099608   3.799582
    15  H    1.083048   2.145521   2.137143   3.390942   3.844754
    16  H    2.141215   3.401329   1.082715   2.147395   3.376713
    17  H    3.845103   3.399955   3.376782   2.143561   1.083353
    18  H    3.373083   2.144831   3.848409   3.391811   2.139589
    19  H    3.360582   2.131449   4.522310   4.807653   4.029452
    20  H    2.664780   2.131366   4.030017   4.806785   4.518970
    21  H    4.313134   3.464618   5.607655   6.173186   5.610196
    22  H    3.394289   3.430600   4.595251   5.594990   5.613465
    23  H    2.835889   2.860700   3.728070   4.483773   4.495147
    24  H    4.401986   4.138626   5.445156   6.167998   5.984473
    25  H    3.777457   2.859473   4.488394   4.482907   3.736760
    26  H    4.673475   3.428402   5.609699   5.593286   4.599408
    27  H    5.044304   4.137830   5.978112   6.167544   5.452794
    28  H    4.537399   4.786704   3.402202   2.122538   2.567809
    29  C    4.428266   5.109748   3.153346   2.532923   3.567671
    30  H    5.441156   6.044130   4.369299   3.880494   4.650813
    31  H    4.171547   5.097247   2.919107   2.811478   4.038204
    32  H    5.478263   6.160989   4.162155   3.480423   4.455581
    33  H    4.525826   5.007437   3.450204   2.755566   3.469237
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526808   0.000000
     8  C    3.418777   1.547598   0.000000
     9  C    4.161107   2.554505   1.528052   0.000000
    10  C    3.361579   2.554231   1.528040   2.517233   0.000000
    11  C    3.811782   5.848052   6.624785   6.623911   6.621125
    12  C    4.722033   6.523386   7.502760   7.475105   7.726833
    13  O    5.548624   7.040667   7.982394   7.757656   8.359626
    14  O    4.919917   6.837323   7.980940   8.181577   8.175000
    15  H    3.372184   2.727625   3.476794   3.116680   4.523819
    16  H    3.848008   4.668352   5.430882   5.036274   6.010724
    17  H    2.142941   4.668901   5.436049   6.017408   5.044561
    18  H    1.083061   2.728121   3.482470   4.531236   3.125581
    19  H    2.662824   1.093022   2.155402   3.477840   2.771201
    20  H    3.357836   1.093021   2.155418   2.770798   3.477720
    21  H    4.314329   2.122881   1.095544   2.133681   2.133647
    22  H    4.677171   2.782505   2.179331   1.092289   3.476753
    23  H    3.783759   2.857622   2.174959   1.091635   2.786377
    24  H    5.049384   3.501351   2.168414   1.091768   2.755625
    25  H    2.842594   2.857470   2.174823   2.785961   1.091653
    26  H    3.395819   2.781905   2.179372   3.476818   1.092345
    27  H    4.406902   3.501141   2.168420   2.755846   1.091766
    28  H    3.954666   6.265387   7.048081   7.225693   6.853470
    29  C    4.732680   6.559984   7.051815   6.767634   6.977948
    30  H    5.673674   7.396932   8.607681   8.766929   8.922616
    31  H    5.017874   6.483343   6.932809   6.445097   7.049090
    32  H    5.705111   7.626317   8.134085   7.846556   8.011765
    33  H    4.540421   6.384264   6.675207   6.401251   6.407184
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516740   0.000000
    13  O    2.425651   1.203818   0.000000
    14  O    2.376931   1.352390   2.241915   0.000000
    15  H    4.672812   5.003478   5.105320   5.676011   0.000000
    16  H    2.736906   2.854371   2.779102   3.871627   2.453653
    17  H    2.724654   3.821265   4.914965   3.837212   4.927985
    18  H    4.668940   5.615020   6.521724   5.657151   4.273381
    19  H    6.303244   6.966271   7.602288   7.086929   3.686252
    20  H    6.303791   6.770674   7.142258   7.090864   2.467530
    21  H    7.660477   8.475688   8.938647   8.891173   4.226398
    22  H    6.952838   7.611280   7.763298   8.321486   2.819180
    23  H    5.743578   6.655778   6.918712   7.465419   2.746133
    24  H    7.464934   8.399452   8.669635   9.155202   4.154517
    25  H    5.740333   6.947645   7.611299   7.458132   4.323340
    26  H    6.947844   8.031458   8.771735   8.309912   5.141109
    27  H    7.462697   8.626760   9.217874   9.149450   5.303182
    28  H    1.090699   2.112534   3.203261   2.428978   5.493433
    29  C    1.529852   2.509522   2.869806   3.652828   5.140767
    30  H    3.207168   1.880596   2.283924   0.970230   6.059272
    31  H    2.168951   2.759594   2.699497   4.071016   4.684766
    32  H    2.173813   2.771001   3.016637   3.811010   6.171842
    33  H    2.156748   3.451705   3.926219   4.473536   5.287431
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.275829   0.000000
    18  H    4.930939   2.456483   0.000000
    19  H    5.456560   4.718430   2.466128   0.000000
    20  H    4.717775   5.454430   3.684749   1.754512   0.000000
    21  H    6.371123   6.375275   4.230101   2.404971   2.405709
    22  H    4.995378   6.597268   5.146778   3.756322   2.552642
    23  H    4.234821   5.402225   4.332336   3.851557   3.201362
    24  H    5.955763   6.816150   5.311478   4.300130   3.745495
    25  H    5.394247   4.245580   2.758367   3.202525   3.851030
    26  H    6.592278   5.001596   2.825124   2.552757   3.756336
    27  H    6.808093   5.965694   4.163953   3.745536   4.300140
    28  H    3.771416   2.305029   4.615831   6.564822   6.835921
    29  C    3.057047   3.780774   5.603342   7.168923   7.025467
    30  H    4.252939   4.760024   6.429701   7.655933   7.528223
    31  H    2.502798   4.488962   5.987280   7.220054   6.813796
    32  H    3.957769   4.488970   6.527333   8.200957   8.087331
    33  H    3.577853   3.605214   5.307427   6.982630   6.977356
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.489470   0.000000
    23  H    3.055353   1.765253   0.000000
    24  H    2.466609   1.765365   1.763373   0.000000
    25  H    3.055245   3.796504   2.610425   3.121870   0.000000
    26  H    2.489643   4.328118   3.796818   3.758245   1.765416
    27  H    2.466432   3.758235   3.122694   2.543317   1.763386
    28  H    8.071515   7.655508   6.384435   8.040395   5.943695
    29  C    8.132280   7.137151   5.756252   7.464715   6.011021
    30  H    9.478423   8.803312   8.080173   9.768654   8.255216
    31  H    7.992655   6.689184   5.417006   7.136266   6.147846
    32  H    9.216155   8.211350   6.823917   8.520314   7.020176
    33  H    7.770255   6.916245   5.371696   6.990939   5.378965
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765411   0.000000
    28  H    7.042005   7.704358   0.000000
    29  C    7.476872   7.658170   2.158985   0.000000
    30  H    9.067826   9.910222   3.370023   4.348308   0.000000
    31  H    7.665073   7.691928   3.065594   1.088633   4.612198
    32  H    8.480812   8.674580   2.494320   1.090859   4.422001
    33  H    6.925311   6.996772   2.503527   1.089957   5.261303
                   31         32         33
    31  H    0.000000
    32  H    1.762808   0.000000
    33  H    1.769867   1.772887   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4017426           0.2678143           0.2638389
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       981.3510194734 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.81D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer05_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.372926446584    
 DIIS: error= 3.95D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.372926446584     IErMin= 1 ErrMin= 3.95D-03
 ErrMax= 3.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-02 BMatP= 1.88D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 3.95D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 GapD=    0.390 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.44D-02 MaxDP=6.37D+00              OVMax= 1.87D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.94D-02    CP:  1.82D+00
 E= -656.390980770831     Delta-E=       -0.018054324247 Rises=F Damp=F
 DIIS: error= 7.13D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.390980770831     IErMin= 2 ErrMin= 7.13D-04
 ErrMax= 7.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.08D-04 BMatP= 1.88D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.13D-03
 Coeff-Com: -0.186D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.185D-01 0.102D+01
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.13D-02 MaxDP=1.31D+00 DE=-1.81D-02 OVMax= 7.78D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.51D-03    CP:  1.99D+00  1.20D+00
 E= -656.391411332083     Delta-E=       -0.000430561253 Rises=F Damp=F
 DIIS: error= 6.50D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.391411332083     IErMin= 3 ErrMin= 6.50D-04
 ErrMax= 6.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-04 BMatP= 7.08D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.50D-03
 Coeff-Com: -0.459D-01 0.501D+00 0.545D+00
 Coeff-En:   0.000D+00 0.142D+00 0.858D+00
 Coeff:     -0.456D-01 0.498D+00 0.547D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.09D-03 MaxDP=1.30D-01 DE=-4.31D-04 OVMax= 4.51D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.02D-04    CP:  2.01D+00  1.21D+00  1.10D+00
 E= -656.391802184817     Delta-E=       -0.000390852733 Rises=F Damp=F
 DIIS: error= 1.13D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.391802184817     IErMin= 4 ErrMin= 1.13D-04
 ErrMax= 1.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-05 BMatP= 5.91D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.13D-03
 Coeff-Com: -0.856D-02 0.271D-01 0.124D+00 0.858D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.855D-02 0.271D-01 0.123D+00 0.858D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.04D-04 MaxDP=3.23D-02 DE=-3.91D-04 OVMax= 1.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.13D-04    CP:  2.01D+00  1.22D+00  1.17D+00  1.36D+00
 E= -656.391814997714     Delta-E=       -0.000012812898 Rises=F Damp=F
 DIIS: error= 6.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.391814997714     IErMin= 5 ErrMin= 6.41D-05
 ErrMax= 6.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-06 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-02-0.473D-01-0.925D-02 0.435D+00 0.621D+00
 Coeff:      0.134D-02-0.473D-01-0.925D-02 0.435D+00 0.621D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=6.47D-05 MaxDP=3.77D-03 DE=-1.28D-05 OVMax= 7.08D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.92D-05    CP:  2.01D+00  1.22D+00  1.18D+00  1.49D+00  1.26D+00
 E= -656.391819736761     Delta-E=       -0.000004739047 Rises=F Damp=F
 DIIS: error= 1.47D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.391819736761     IErMin= 6 ErrMin= 1.47D-05
 ErrMax= 1.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-07 BMatP= 5.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-02-0.211D-01-0.192D-01 0.696D-01 0.231D+00 0.738D+00
 Coeff:      0.148D-02-0.211D-01-0.192D-01 0.696D-01 0.231D+00 0.738D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=2.51D-05 MaxDP=2.23D-03 DE=-4.74D-06 OVMax= 1.55D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.96D-06    CP:  2.01D+00  1.22D+00  1.19D+00  1.52D+00  1.34D+00
                    CP:  1.26D+00
 E= -656.391820056286     Delta-E=       -0.000000319525 Rises=F Damp=F
 DIIS: error= 4.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.391820056286     IErMin= 7 ErrMin= 4.72D-06
 ErrMax= 4.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-08 BMatP= 3.50D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.266D-03-0.534D-03-0.455D-02-0.291D-01 0.169D-02 0.218D+00
 Coeff-Com:  0.815D+00
 Coeff:      0.266D-03-0.534D-03-0.455D-02-0.291D-01 0.169D-02 0.218D+00
 Coeff:      0.815D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.39D-05 MaxDP=1.46D-03 DE=-3.20D-07 OVMax= 6.10D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.75D-06    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.36D+00
                    CP:  1.27D+00  1.22D+00
 E= -656.391820093223     Delta-E=       -0.000000036937 Rises=F Damp=F
 DIIS: error= 8.46D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.391820093223     IErMin= 8 ErrMin= 8.46D-07
 ErrMax= 8.46D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 2.66D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.773D-04 0.172D-02 0.805D-03-0.124D-01-0.192D-01-0.331D-01
 Coeff-Com:  0.155D+00 0.907D+00
 Coeff:     -0.773D-04 0.172D-02 0.805D-03-0.124D-01-0.192D-01-0.331D-01
 Coeff:      0.155D+00 0.907D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=4.58D-06 MaxDP=5.44D-04 DE=-3.69D-08 OVMax= 1.72D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.73D-06    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.37D+00
                    CP:  1.30D+00  1.24D+00  1.09D+00
 E= -656.391820096485     Delta-E=       -0.000000003262 Rises=F Damp=F
 DIIS: error= 3.29D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.391820096485     IErMin= 9 ErrMin= 3.29D-07
 ErrMax= 3.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-10 BMatP= 1.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.454D-04 0.649D-03 0.637D-03-0.246D-02-0.642D-02-0.287D-01
 Coeff-Com: -0.486D-02 0.315D+00 0.726D+00
 Coeff:     -0.454D-04 0.649D-03 0.637D-03-0.246D-02-0.642D-02-0.287D-01
 Coeff:     -0.486D-02 0.315D+00 0.726D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=5.40D-07 MaxDP=5.04D-05 DE=-3.26D-09 OVMax= 7.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.83D-07    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.37D+00
                    CP:  1.30D+00  1.27D+00  1.13D+00  1.06D+00
 E= -656.391820097110     Delta-E=       -0.000000000625 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.391820097110     IErMin=10 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-11 BMatP= 2.79D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.304D-05-0.498D-04 0.980D-04 0.105D-02 0.123D-02-0.463D-02
 Coeff-Com: -0.246D-01-0.369D-01 0.233D+00 0.830D+00
 Coeff:     -0.304D-05-0.498D-04 0.980D-04 0.105D-02 0.123D-02-0.463D-02
 Coeff:     -0.246D-01-0.369D-01 0.233D+00 0.830D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=5.69D-07 MaxDP=6.10D-05 DE=-6.25D-10 OVMax= 3.25D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.89D-07    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.36D+00
                    CP:  1.29D+00  1.26D+00  1.16D+00  1.12D+00  1.03D+00
 E= -656.391820096922     Delta-E=        0.000000000188 Rises=F Damp=F
 DIIS: error= 5.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.391820097110     IErMin=11 ErrMin= 5.37D-08
 ErrMax= 5.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-12 BMatP= 3.90D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.438D-05-0.963D-04-0.400D-04 0.627D-03 0.133D-02 0.176D-02
 Coeff-Com: -0.709D-02-0.519D-01-0.136D-01 0.273D+00 0.796D+00
 Coeff:      0.438D-05-0.963D-04-0.400D-04 0.627D-03 0.133D-02 0.176D-02
 Coeff:     -0.709D-02-0.519D-01-0.136D-01 0.273D+00 0.796D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=1.61D-05 DE= 1.88D-10 OVMax= 1.28D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.95D-08    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.36D+00
                    CP:  1.29D+00  1.26D+00  1.16D+00  1.13D+00  1.13D+00
                    CP:  1.18D+00
 E= -656.391820096856     Delta-E=        0.000000000067 Rises=F Damp=F
 DIIS: error= 2.05D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.391820097110     IErMin=12 ErrMin= 2.05D-08
 ErrMax= 2.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-13 BMatP= 5.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05-0.948D-05-0.209D-04-0.564D-04 0.107D-03 0.909D-03
 Coeff-Com:  0.266D-02-0.443D-02-0.359D-01-0.734D-01 0.140D+00 0.971D+00
 Coeff:      0.122D-05-0.948D-05-0.209D-04-0.564D-04 0.107D-03 0.909D-03
 Coeff:      0.266D-02-0.443D-02-0.359D-01-0.734D-01 0.140D+00 0.971D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=4.34D-08 MaxDP=2.61D-06 DE= 6.66D-11 OVMax= 8.83D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.87D-08    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.36D+00
                    CP:  1.29D+00  1.26D+00  1.16D+00  1.14D+00  1.14D+00
                    CP:  1.32D+00  1.29D+00
 E= -656.391820097016     Delta-E=       -0.000000000160 Rises=F Damp=F
 DIIS: error= 1.11D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -656.391820097110     IErMin=13 ErrMin= 1.11D-08
 ErrMax= 1.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.66D-14 BMatP= 6.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.402D-06 0.120D-04 0.181D-05-0.102D-03-0.159D-03-0.721D-04
 Coeff-Com:  0.155D-02 0.622D-02-0.485D-02-0.532D-01-0.889D-01 0.181D+00
 Coeff-Com:  0.958D+00
 Coeff:     -0.402D-06 0.120D-04 0.181D-05-0.102D-03-0.159D-03-0.721D-04
 Coeff:      0.155D-02 0.622D-02-0.485D-02-0.532D-01-0.889D-01 0.181D+00
 Coeff:      0.958D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=2.43D-08 MaxDP=2.20D-06 DE=-1.60D-10 OVMax= 4.73D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.00D-08    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.36D+00
                    CP:  1.29D+00  1.26D+00  1.16D+00  1.14D+00  1.13D+00
                    CP:  1.37D+00  1.46D+00  1.34D+00
 E= -656.391820097061     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 3.44D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=10 EnMin= -656.391820097110     IErMin=14 ErrMin= 3.44D-09
 ErrMax= 3.44D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-14 BMatP= 8.66D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.306D-06 0.505D-05 0.371D-05-0.238D-04-0.661D-04-0.150D-03
 Coeff-Com:  0.687D-04 0.254D-02 0.396D-02-0.494D-02-0.471D-01-0.894D-01
 Coeff-Com:  0.302D+00 0.833D+00
 Coeff:     -0.306D-06 0.505D-05 0.371D-05-0.238D-04-0.661D-04-0.150D-03
 Coeff:      0.687D-04 0.254D-02 0.396D-02-0.494D-02-0.471D-01-0.894D-01
 Coeff:      0.302D+00 0.833D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=9.20D-09 MaxDP=1.05D-06 DE=-4.50D-11 OVMax= 2.10D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.59D-09    CP:  2.01D+00  1.22D+00  1.18D+00  1.53D+00  1.36D+00
                    CP:  1.29D+00  1.26D+00  1.16D+00  1.14D+00  1.14D+00
                    CP:  1.38D+00  1.51D+00  1.51D+00  1.12D+00
 E= -656.391820097085     Delta-E=       -0.000000000024 Rises=F Damp=F
 DIIS: error= 2.64D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=10 EnMin= -656.391820097110     IErMin=15 ErrMin= 2.64D-09
 ErrMax= 2.64D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-15 BMatP= 1.93D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.461D-07-0.199D-05 0.268D-06 0.207D-04 0.242D-04-0.602D-05
 Coeff-Com: -0.374D-03-0.101D-02 0.203D-02 0.121D-01 0.120D-01-0.669D-01
 Coeff-Com: -0.170D+00 0.185D+00 0.103D+01
 Coeff:      0.461D-07-0.199D-05 0.268D-06 0.207D-04 0.242D-04-0.602D-05
 Coeff:     -0.374D-03-0.101D-02 0.203D-02 0.121D-01 0.120D-01-0.669D-01
 Coeff:     -0.170D+00 0.185D+00 0.103D+01
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=5.13D-09 MaxDP=2.33D-07 DE=-2.41D-11 OVMax= 1.20D-07

 SCF Done:  E(RM11) =  -656.391820097     A.U. after   15 cycles
            NFock= 15  Conv=0.51D-08     -V/T= 2.0066
 KE= 6.520925807078D+02 PE=-3.489090245892D+03 EE= 1.199254825614D+03
 Leave Link  502 at Wed Sep  8 12:58:23 2021, MaxMem=  6442450944 cpu:           13730.3 elap:            1718.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10090187D+03

 Leave Link  801 at Wed Sep  8 12:58:23 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10234 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.57D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.90D-01 5.19D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 3.76D-02 5.85D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.12D-03 1.43D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 5.03D-04 3.93D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 6.94D-05 9.49D-04.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 5.68D-06 2.87D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.65D-07 6.17D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.11D-08 1.59D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 4.68D-10 2.43D-06.
     10 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.58D-11 3.60D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 5.17D-13 6.40D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 5.58D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.212576D+03
      2  0.612240D+01  0.154918D+03
      3  0.767583D+01 -0.872418D+01  0.140064D+03
 Isotropic polarizability for W=    0.088559      169.19 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.202811D+03  0.220011D+02 -0.418002D+02
      2   0.897275D+02 -0.237080D+02 -0.454555D+01
      3   0.113083D+03  0.170691D+01  0.463458D+02
      4   0.316786D+02 -0.114536D+03  0.256336D+02
      5   0.199114D+02  0.286723D+02 -0.102700D+03
      6   0.533720D+01  0.236703D+02  0.278068D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.670688D+01  0.486126D+01 -0.720899D+00
      2  -0.106401D+02  0.909250D+01 -0.530795D+02
      3  -0.343920D+02  0.528539D+02 -0.171194D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.303873D+01  0.282159D+02 -0.260998D+02
      2  -0.617116D+02  0.202964D+02 -0.215783D+03
      3   0.967751D+01  0.204264D+03 -0.233351D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.325378D+01 -0.274225D+01  0.672543D+01
      2  -0.274225D+01 -0.132184D+00 -0.138347D+01
      3   0.672543D+01 -0.138347D+01  0.206592D+01
 OR G Eigenvalues:    -8.1222    -0.7882     7.5903  Iso=     0.4400
 Eigenvectors:
   (1)   0.830539   0.194696  -0.521822
   (2)   0.026077   0.922290   0.385618
   (3)   0.556350  -0.333878   0.760921
 w=    0.088559 a.u., Optical Rotation Beta=      0.4400 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      108.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 5.77D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.48D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.28D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.02D-02 1.96D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.65D-03 7.94D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 4.51D-05 1.25D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.72D-06 1.49D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 3.33D-08 1.80D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 4.95D-10 1.80D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 6.23D-12 1.90D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 7.58D-14 1.84D-08.
      9 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 5.35D-15 5.68D-09.
      9 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 2.28D-14 1.42D-08.
      8 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 3.44D-14 1.14D-08.
      3 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 7.56D-15 5.76D-09.
      2 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 2.88D-15 4.09D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   301 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.94D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.94D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.55D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.212576D+03  0.612240D+01  0.767583D+01
      2   0.612240D+01  0.154918D+03 -0.872418D+01
      3   0.767583D+01 -0.872418D+01  0.140064D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.670688D+01  0.486126D+01 -0.720899D+00
      2  -0.106401D+02  0.909250D+01 -0.530795D+02
      3  -0.343920D+02  0.528539D+02 -0.171194D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.202811D+03  0.220011D+02 -0.418002D+02
      2   0.897275D+02 -0.237080D+02 -0.454555D+01
      3   0.113083D+03  0.170691D+01  0.463458D+02
      4   0.316786D+02 -0.114536D+03  0.256336D+02
      5   0.199114D+02  0.286723D+02 -0.102700D+03
      6   0.533720D+01  0.236703D+02  0.278068D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.824366D+01  0.132587D+01  0.235778D+01  0.111112D+02 -0.292653D+00
      2   0.132587D+01 -0.184456D+01 -0.111452D+00 -0.292653D+00  0.213716D+01
      3   0.235778D+01 -0.111452D+00  0.322480D+00  0.115857D+01  0.942137D+00
                 6             7             8             9            10 
      1   0.115857D+01 -0.689455D+00 -0.179891D+01  0.172305D+00 -0.275699D+02
      2   0.942137D+00 -0.179891D+01  0.854809D+00  0.531231D+00  0.631903D-01
      3  -0.524461D+00  0.172305D+00  0.531231D+00 -0.403226D+01 -0.335942D+01
                11            12            13            14            15 
      1   0.631903D-01 -0.335942D+01  0.169135D+00 -0.143410D+01 -0.167365D+01
      2  -0.257793D+01  0.693438D+00 -0.143410D+01 -0.167779D+01 -0.326200D+00
      3   0.693438D+00 -0.201153D+01 -0.167365D+01 -0.326200D+00 -0.109131D+01
                16            17            18            19            20 
      1  -0.650781D+01 -0.165521D+01 -0.407212D+01 -0.613462D+01 -0.636355D+00
      2  -0.165521D+01 -0.871832D+00 -0.588349D+00 -0.636355D+00  0.733511D+00
      3  -0.407212D+01 -0.588349D+00 -0.300202D+01 -0.256400D+01 -0.128375D+01
                21            22            23            24            25 
      1  -0.256400D+01  0.875748D+01  0.361971D+00  0.268091D+01 -0.870317D+01
      2  -0.128375D+01  0.361971D+00  0.286283D+01  0.123906D+01 -0.712347D+00
      3   0.240128D+01  0.268091D+01  0.123906D+01  0.895488D+00 -0.483153D+00
                26            27            28            29            30 
      1  -0.712347D+00 -0.483153D+00  0.234089D+02  0.143704D+01  0.438501D+01
      2   0.177696D+01  0.848186D+00  0.143704D+01  0.233307D+01 -0.250832D-01
      3   0.848186D+00 -0.178611D+01  0.438501D+01 -0.250832D-01  0.280832D+01
                31            32            33            34            35 
      1   0.111077D+01  0.114511D+01  0.163800D+01  0.404061D+01  0.196610D+01
      2   0.114511D+01 -0.672579D+00  0.649166D+00  0.196610D+01  0.210493D+01
      3   0.163800D+01  0.649166D+00  0.202603D+01  0.497454D+01  0.723205D+00
                36            37            38            39            40 
      1   0.497454D+01 -0.958585D+01 -0.133551D+01 -0.293278D+01 -0.117104D+02
      2   0.723205D+00 -0.133551D+01  0.360244D+01  0.141010D+00 -0.866051D+00
      3   0.221858D+01 -0.293278D+01  0.141010D+00 -0.583458D+00 -0.106785D+01
                41            42            43            44            45 
      1  -0.866051D+00 -0.106785D+01  0.706274D+00  0.186384D+01  0.316448D+00
      2  -0.157710D+01 -0.148761D+01  0.186384D+01 -0.866706D+00 -0.919479D+00
      3  -0.148761D+01 -0.175350D+00  0.316448D+00 -0.919479D+00  0.416312D+01
                46            47            48            49            50 
      1   0.711845D+01  0.589553D+00  0.270770D+01 -0.780766D+01  0.929867D+00
      2   0.589553D+00 -0.185705D+01  0.136845D+01  0.929867D+00 -0.207829D+01
      3   0.270770D+01  0.136845D+01 -0.197447D+01 -0.246992D+01 -0.128679D+01
                51            52            53            54            55 
      1  -0.246992D+01  0.104201D+02  0.355477D+00 -0.126602D+00  0.157409D+02
      2  -0.128679D+01  0.355477D+00 -0.339449D+01 -0.120355D+01 -0.173103D+01
      3  -0.113978D+01 -0.126602D+00 -0.120355D+01  0.137168D+01 -0.135312D+01
                56            57            58            59            60 
      1  -0.173103D+01 -0.135312D+01 -0.407591D+01  0.372306D+01  0.141575D+01
      2   0.213399D+01  0.103989D+01  0.372306D+01  0.504774D+01  0.231867D+01
      3   0.103989D+01  0.163417D+01  0.141575D+01  0.231867D+01 -0.288922D+01
                61            62            63            64            65 
      1  -0.513821D+01  0.163625D+01  0.357305D+01 -0.833666D+00  0.324778D+01
      2   0.163625D+01  0.778374D+00 -0.219846D+01  0.324778D+01 -0.146455D+01
      3   0.357305D+01 -0.219846D+01  0.485075D+01  0.605781D+01 -0.837165D+00
                66            67            68            69            70 
      1   0.605781D+01  0.759766D+01 -0.128035D+01 -0.104867D+01  0.136180D+02
      2  -0.837165D+00 -0.128035D+01 -0.509572D+01 -0.772274D+00 -0.180979D+01
      3   0.245824D+00 -0.104867D+01 -0.772274D+00  0.357741D+01  0.592950D+00
                71            72            73            74            75 
      1  -0.180979D+01  0.592950D+00  0.238328D+00 -0.350541D+01 -0.487278D+01
      2  -0.112787D+01  0.375493D+01 -0.350541D+01  0.209099D+01  0.138246D+01
      3   0.375493D+01 -0.165288D+01 -0.487278D+01  0.138246D+01  0.247626D+00
                76            77            78            79            80 
      1  -0.395416D+01  0.106251D+01  0.845630D+00 -0.650440D+01  0.164845D+01
      2   0.106251D+01  0.309384D+01  0.959486D+00  0.164845D+01  0.141290D+01
      3   0.845630D+00  0.959486D+00 -0.353500D+01  0.818882D+00 -0.462929D+01
                81            82            83            84            85 
      1   0.818882D+00  0.521768D+00 -0.215313D+01 -0.552472D+01 -0.338247D+01
      2  -0.462929D+01 -0.215313D+01  0.137247D+01  0.877931D+00  0.189911D+01
      3   0.278448D+01 -0.552472D+01  0.877931D+00  0.105176D+01  0.188129D+01
                86            87            88            89            90 
      1   0.189911D+01  0.188129D+01 -0.668206D+01  0.153750D+01  0.336760D+00
      2   0.667143D+01  0.265881D+00  0.153750D+01  0.142770D+01 -0.304783D+01
      3   0.265881D+00 -0.319736D+01  0.336760D+00 -0.304783D+01  0.702828D+00
                91            92            93            94            95 
      1  -0.316280D+01  0.888580D+00  0.697185D+00 -0.179876D+01 -0.246850D+01
      2   0.888580D+00 -0.127427D+01 -0.435491D+00 -0.246850D+01  0.170453D+01
      3   0.697185D+00 -0.435491D+00 -0.227012D+01 -0.185420D+01 -0.423375D+01
                96            97            98            99           100 
      1  -0.185420D+01  0.416122D+01 -0.133761D+01 -0.504903D+01 -0.112844D+01
      2  -0.423375D+01 -0.133761D+01 -0.336093D+01 -0.570763D+00 -0.195427D+01
      3  -0.235474D+01 -0.504903D+01 -0.570763D+00 -0.737332D+00 -0.383451D+00
               101           102           103           104           105 
      1  -0.195427D+01 -0.383451D+00 -0.349452D+01 -0.181041D+01  0.164614D+01
      2  -0.821801D+00  0.233166D+00 -0.181041D+01 -0.255982D+01  0.235849D+01
      3   0.233166D+00  0.162572D+01  0.164614D+01  0.235849D+01 -0.104955D+01
               106           107           108           109           110 
      1  -0.794051D+00  0.951465D+00  0.161675D+01  0.467022D+01  0.361216D+01
      2   0.951465D+00  0.177495D+01 -0.560658D+00  0.361216D+01  0.221084D+01
      3   0.161675D+01 -0.560658D+00 -0.196058D+01 -0.146550D+01 -0.453147D+00
               111           112           113           114           115 
      1  -0.146550D+01  0.780802D+01  0.361236D+01 -0.161677D+01 -0.327245D+01
      2  -0.453147D+00  0.361236D+01  0.788877D+01 -0.163308D+01 -0.105475D+01
      3   0.485882D+00 -0.161677D+01 -0.163308D+01  0.285863D+01  0.172898D+01
               116           117           118           119           120 
      1  -0.105475D+01  0.172898D+01 -0.108927D+01 -0.114800D+01  0.189701D+01
      2  -0.208125D+01  0.230063D+01 -0.114800D+01 -0.769391D-01 -0.551175D+00
      3   0.230063D+01 -0.211601D+01  0.189701D+01 -0.551175D+00 -0.267308D+01
               121           122           123           124           125 
      1  -0.411904D+01  0.189072D+01  0.594919D+00  0.295334D+01 -0.836287D+00
      2   0.189072D+01 -0.480629D+01 -0.157873D+01 -0.836287D+00  0.302291D+00
      3   0.594919D+00 -0.157873D+01 -0.127329D+01 -0.265182D+01 -0.562381D+00
               126           127           128           129           130 
      1  -0.265182D+01 -0.190248D+01  0.137936D+01 -0.116698D+01  0.146563D+01
      2  -0.562381D+00  0.137936D+01 -0.985241D+00  0.895748D+00 -0.159729D+01
      3   0.296038D+01 -0.116698D+01  0.895748D+00 -0.119763D+01  0.113792D+01
               131           132           133           134           135 
      1  -0.159729D+01  0.113792D+01 -0.173963D+01  0.157585D+01 -0.130074D+01
      2   0.416203D+01 -0.279325D+01  0.157585D+01 -0.279569D+01  0.226652D+01
      3  -0.279325D+01  0.281735D+01 -0.130074D+01  0.226652D+01 -0.259307D+01
               136           137           138           139           140 
      1   0.388548D+01  0.213456D+01 -0.501819D+00  0.260149D+01  0.267566D+01
      2   0.213456D+01  0.205770D+01 -0.375054D+00  0.267566D+01  0.448909D+01
      3  -0.501819D+00 -0.375054D+00  0.503099D+00 -0.952244D+00 -0.144360D+01
               141           142           143           144           145 
      1  -0.952244D+00 -0.735222D+00 -0.827545D+00  0.363025D+00  0.189754D+01
      2  -0.144360D+01 -0.827545D+00 -0.186508D+01  0.764781D+00 -0.149645D+01
      3   0.121463D+01  0.363025D+00  0.764781D+00 -0.762162D+00  0.145407D+01
               146           147           148           149           150 
      1  -0.149645D+01  0.145407D+01 -0.148369D+01  0.183354D+01 -0.127521D+01
      2   0.143650D+01 -0.113312D+01  0.183354D+01 -0.529054D+01  0.303047D+01
      3  -0.113312D+01  0.129334D+01 -0.127521D+01  0.303047D+01 -0.270910D+01
               151           152           153           154           155 
      1   0.145632D+01 -0.160959D+01  0.118870D+01 -0.343350D+01 -0.243805D+01
      2  -0.160959D+01  0.327101D+01 -0.223113D+01 -0.243805D+01 -0.282931D+01
      3   0.118870D+01 -0.223113D+01  0.206762D+01  0.602768D+00  0.368429D+00
               156           157           158           159           160 
      1   0.602768D+00 -0.291867D+01 -0.323610D+01  0.963721D+00  0.488954D+00
      2   0.368429D+00 -0.323610D+01 -0.601384D+01  0.144122D+01  0.663724D+00
      3  -0.362569D+00  0.963721D+00  0.144122D+01 -0.104370D+01 -0.406871D+00
               161           162           163           164           165 
      1   0.663724D+00 -0.406871D+00 -0.257651D+01 -0.172894D+01 -0.335074D+00
      2   0.196077D+01 -0.748544D+00 -0.172894D+01 -0.165121D+01 -0.774549D+00
      3  -0.748544D+00  0.505223D+00 -0.335074D+00 -0.774549D+00 -0.751998D+00
               166           167           168           169           170 
      1  -0.394645D+01 -0.269406D+01 -0.132140D+01  0.156996D+01 -0.652858D+00
      2  -0.269406D+01 -0.710595D+01 -0.260384D+01 -0.652858D+00 -0.106815D+01
      3  -0.132140D+01 -0.260384D+01 -0.168182D+01 -0.841213D+00 -0.118369D+01
               171           172           173           174           175 
      1  -0.841213D+00 -0.111551D+01  0.724656D+00 -0.123933D+01  0.341353D+01
      2  -0.118369D+01  0.724656D+00 -0.400203D+00  0.633099D-01 -0.947856D+00
      3  -0.150406D+01 -0.123933D+01  0.633099D-01 -0.102319D+01  0.844326D+00
               176           177           178           179           180 
      1  -0.947856D+00  0.844326D+00 -0.204710D+01  0.264814D+00 -0.235186D+01
      2   0.560968D+00 -0.153634D+01  0.264814D+00 -0.104038D+01  0.123486D+01
      3  -0.153634D+01  0.276273D+01 -0.235186D+01  0.123486D+01 -0.837842D+01
               181           182           183           184           185 
      1  -0.112526D+02 -0.114366D+01 -0.379205D+01 -0.201270D+01 -0.163993D+01
      2  -0.114366D+01 -0.108953D+01 -0.193864D+00 -0.163993D+01  0.441047D-01
      3  -0.379205D+01 -0.193864D+00 -0.222847D+01 -0.144202D+00 -0.589372D+00
               186           187           188           189           190 
      1  -0.144202D+00 -0.532668D+01 -0.362692D-02 -0.282372D+01 -0.211996D+00
      2  -0.589372D+00 -0.362692D-02 -0.608208D+00 -0.723504D+00  0.109474D+01
      3  -0.794108D+00 -0.282372D+01 -0.723504D+00 -0.224020D+01 -0.565976D+00
               191           192           193           194           195 
      1   0.109474D+01 -0.565976D+00  0.103850D+01 -0.671735D+00  0.232042D+00
      2  -0.354076D+00  0.133931D-01 -0.671735D+00  0.317029D+01 -0.231365D+01
      3   0.133931D-01 -0.240751D+00  0.232042D+00 -0.231365D+01  0.244760D+01
               196           197           198           199           200 
      1  -0.110014D+01  0.559315D+00 -0.503708D+00  0.598559D+01  0.390325D+00
      2   0.559315D+00 -0.361995D+01  0.330932D+01  0.390325D+00  0.184553D+01
      3  -0.503708D+00  0.330932D+01 -0.544245D+01  0.168551D+01  0.430670D+00
               201           202           203           204           205 
      1   0.168551D+01  0.352079D+00  0.966471D+00  0.228941D+00  0.198107D+01
      2   0.430670D+00  0.966471D+00  0.842326D+00  0.382909D+00  0.380501D+00
      3   0.140212D+01  0.228941D+00  0.382909D+00  0.784142D+00  0.100697D+01
               206           207           208           209           210 
      1   0.380501D+00  0.100697D+01 -0.632047D+01  0.369993D+01  0.267830D+01
      2   0.976733D+00  0.112892D+01  0.369993D+01 -0.325682D+01 -0.136419D+01
      3   0.112892D+01  0.133726D+01  0.267830D+01 -0.136419D+01 -0.179597D+01
               211           212           213           214           215 
      1   0.264584D+01 -0.271713D+01 -0.110466D+01  0.349264D+01 -0.199897D+01
      2  -0.271713D+01  0.275145D+01  0.118963D+01 -0.199897D+01  0.208429D+01
      3  -0.110466D+01  0.118963D+01  0.119316D+01 -0.233734D+01  0.204468D+01
               216           217           218           219           220 
      1  -0.233734D+01  0.621817D+01  0.441141D+00  0.136473D+01  0.494409D+00
      2   0.204468D+01  0.441141D+00  0.775859D+00 -0.168408D+00  0.308818D+00
      3   0.203236D+01  0.136473D+01 -0.168408D+00  0.236965D+01  0.626347D-01
               221           222           223           224           225 
      1   0.308818D+00  0.626347D-01  0.158260D+01 -0.971953D-01  0.141346D+01
      2  -0.469588D+00  0.487088D+00 -0.971953D-01  0.551907D+00  0.203348D+00
      3   0.487088D+00  0.758251D+00  0.141346D+01  0.203348D+00  0.262794D+01
               226           227           228           229           230 
      1  -0.107499D+01 -0.135446D+01  0.698632D+00 -0.204649D+01 -0.215186D+01
      2  -0.135446D+01 -0.144977D+01  0.670135D-01 -0.215186D+01 -0.870138D+01
      3   0.698632D+00  0.670135D-01 -0.428267D+00  0.441032D+00  0.886304D+00
               231           232           233           234           235 
      1   0.441032D+00  0.225501D+00 -0.114833D+00 -0.292858D+00 -0.705133D+01
      2   0.886304D+00 -0.114833D+00 -0.448434D+00 -0.694835D+00  0.101402D+01
      3  -0.127049D+01 -0.292858D+00 -0.694835D+00 -0.803021D-02  0.441114D+01
               236           237           238           239           240 
      1   0.101402D+01  0.441114D+01  0.255873D+01 -0.149456D+01 -0.156574D+01
      2  -0.125029D+01 -0.518057D+00 -0.149456D+01  0.429995D+00  0.884014D+00
      3  -0.518057D+00 -0.332861D+01 -0.156574D+01  0.884014D+00  0.189701D+01
               241           242           243           244           245 
      1   0.410598D+01 -0.595208D+00 -0.357852D+01 -0.128548D+00 -0.166817D+01
      2  -0.595208D+00  0.556116D+00  0.832366D+00 -0.166817D+01  0.895540D+00
      3  -0.357852D+01  0.832366D+00  0.400131D+01  0.408563D+00 -0.423532D+00
               246           247           248           249           250 
      1   0.408563D+00 -0.278891D+01  0.149000D+01 -0.790047D+00  0.678357D+00
      2  -0.423532D+00  0.149000D+01 -0.453836D+01  0.197370D+01 -0.599517D+00
      3   0.714334D+00 -0.790047D+00  0.197370D+01 -0.189936D+01  0.140726D+01
               251           252           253           254           255 
      1  -0.599517D+00  0.140726D+01 -0.739887D+01 -0.148382D+01 -0.609628D+01
      2   0.212202D+01 -0.150144D+01 -0.148382D+01  0.689847D+00 -0.460174D+00
      3  -0.150144D+01  0.249673D+01 -0.609628D+01 -0.460174D+00  0.130017D+01
               256           257           258           259           260 
      1   0.263799D+01  0.224662D+01  0.111735D+01 -0.328379D+01  0.476702D+00
      2   0.224662D+01 -0.135132D+01  0.374478D+01  0.476702D+00  0.359064D+01
      3   0.111735D+01  0.374478D+01  0.267359D+01  0.267963D+01  0.115645D+01
               261           262           263           264           265 
      1   0.267963D+01  0.421407D+01 -0.133518D+01 -0.289396D+01  0.433694D+00
      2   0.115645D+01 -0.133518D+01  0.110829D+01  0.849640D+00  0.497530D+00
      3  -0.860367D+00 -0.289396D+01  0.849640D+00  0.276773D+01 -0.427313D+00
               266           267           268           269           270 
      1   0.497530D+00 -0.427313D+00 -0.405344D+01  0.124537D+01  0.392549D+01
      2  -0.607461D+00 -0.435798D+00  0.124537D+01 -0.144613D+01 -0.141342D+01
      3  -0.435798D+00  0.345343D+00  0.392549D+01 -0.141342D+01 -0.499125D+01
               271           272           273           274           275 
      1   0.380796D+00  0.875800D+00  0.165964D+00  0.146639D+01  0.364922D-01
      2   0.875800D+00 -0.702975D+00  0.242689D-01  0.364922D-01  0.584990D+01
      3   0.165964D+00  0.242689D-01 -0.324597D+00  0.270848D+00 -0.555631D+00
               276           277           278           279           280 
      1   0.270848D+00 -0.727693D+00 -0.795532D-01 -0.457844D+00  0.112923D+02
      2  -0.555631D+00 -0.795532D-01 -0.192744D+01  0.404321D+00  0.202053D+01
      3   0.125494D+01 -0.457844D+00  0.404321D+00 -0.122495D+01  0.512947D+01
               281           282           283           284           285 
      1   0.202053D+01  0.512947D+01  0.420480D+00  0.119263D+01  0.254095D+00
      2   0.152128D+01  0.124597D+01  0.119263D+01  0.643487D+00  0.417369D+00
      3   0.124597D+01  0.347884D+01  0.254095D+00  0.417369D+00 -0.114509D+00
               286           287           288           289           290 
      1   0.371963D+01  0.757242D+00  0.288271D+01 -0.184473D+01  0.173214D+00
      2   0.757242D+00  0.286793D+00  0.654757D+00  0.173214D+00 -0.921329D+00
      3   0.288271D+01  0.654757D+00  0.289609D+01  0.234559D+01 -0.586571D+00
               291           292           293           294           295 
      1   0.234559D+01 -0.543231D+00 -0.569897D+00 -0.102259D+00  0.210474D+01
      2  -0.586571D+00 -0.569897D+00  0.196081D+00  0.419544D+00 -0.987786D-01
      3  -0.345763D+01 -0.102259D+00  0.419544D+00 -0.763134D+00 -0.172052D+01
               296           297 
      1  -0.987786D-01 -0.172052D+01
      2   0.689342D+00  0.618837D+00
      3   0.618837D+00  0.627582D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.125143D+01  0.292533D+01 -0.824856D-01  0.454611D+01  0.897853D+00
      2   0.464768D+01 -0.424264D+01  0.459416D+01 -0.416822D+00 -0.489006D+01
      3  -0.127527D+02 -0.691647D+01  0.254671D+01 -0.398483D+00 -0.165367D+01
                 6             7             8             9            10 
      1  -0.250356D+01  0.490091D+01  0.303465D+01  0.110155D+01 -0.412567D+01
      2   0.177208D+01 -0.115428D+02 -0.302136D+01  0.105804D+01 -0.661920D+01
      3   0.123075D+01  0.529797D+01  0.878775D+00 -0.382473D+00  0.173542D+02
                11            12            13            14            15 
      1  -0.187764D+01  0.420529D+00 -0.892551D+01  0.484647D+01 -0.887893D+00
      2   0.100881D+01 -0.188922D+01  0.560726D+01  0.421650D+01 -0.220060D+01
      3   0.101559D+01  0.184761D+01  0.179557D+02  0.218338D+01  0.176312D+01
                16            17            18            19            20 
      1   0.293060D+01  0.617324D+01 -0.575642D+01  0.523143D-03 -0.964901D+00
      2  -0.146958D+02 -0.213148D+01 -0.290543D+00  0.420302D+01 -0.634162D+00
      3  -0.480844D+00  0.960166D+00  0.111603D+01  0.559451D+01 -0.448955D+01
                21            22            23            24            25 
      1  -0.176869D+00 -0.159467D+01 -0.198570D+01 -0.306713D+01 -0.611584D+01
      2   0.127324D+01 -0.511765D+01  0.169251D+01 -0.662803D+00 -0.101730D+02
      3   0.314702D+01  0.336548D+00  0.170562D+00 -0.152699D+01  0.826228D+01
                26            27            28            29            30 
      1   0.188942D+01 -0.386466D+01  0.235351D+01 -0.396863D+01  0.345483D+01
      2   0.169461D+01 -0.319694D+01  0.559183D+01  0.209585D+01  0.712176D+00
      3  -0.145315D+01  0.440027D+01 -0.141935D+02  0.118086D+00 -0.410530D+01
                31            32            33            34            35 
      1  -0.666152D+01  0.425171D+01 -0.445996D+00  0.707475D+01  0.623723D+01
      2   0.383138D+01  0.448961D+01  0.133126D+01 -0.928471D+01 -0.106252D+01
      3   0.193912D+02  0.361670D+01  0.189449D+01 -0.692179D+01  0.824077D+00
                36            37            38            39            40 
      1  -0.232605D+01 -0.365083D+01  0.100190D+01 -0.770274D+00  0.754241D+00
      2  -0.488409D+01  0.532204D+00 -0.454437D+01  0.358647D+01 -0.289479D+00
      3  -0.551804D+01  0.470525D+01 -0.416660D+01  0.539190D+01  0.131913D+02
                41            42            43            44            45 
      1   0.789907D-01 -0.263897D+01  0.348453D+01  0.174189D+01  0.429541D+01
      2  -0.386322D+01 -0.579976D+00 -0.980896D+01 -0.269816D+01  0.951869D+00
      3   0.327944D+00  0.320374D+01  0.402359D+01  0.209787D+00  0.714399D+00
                46            47            48            49            50 
      1   0.427399D+01  0.808126D+00 -0.207647D+01 -0.481494D+01 -0.675227D+00
      2   0.632348D+01 -0.103870D+01  0.120792D+01 -0.761591D+01  0.184518D+01
      3  -0.663965D+01 -0.414944D+01 -0.194443D+01  0.101148D+02 -0.113232D+01
                51            52            53            54            55 
      1  -0.395924D+01 -0.588219D+01  0.270429D+01 -0.133138D+01  0.266491D+01
      2   0.479763D+00 -0.672666D+01  0.259647D+01 -0.288898D+01  0.218442D+02
      3   0.160391D+01 -0.571290D+01 -0.257755D+01  0.924594D+00 -0.157557D+02
                56            57            58            59            60 
      1  -0.713865D+00 -0.129040D+01 -0.383098D+01 -0.717826D+01 -0.765227D+01
      2  -0.488822D+01 -0.374474D+01 -0.948296D+01 -0.131069D+01  0.117846D+02
      3   0.575754D+01  0.364037D+01  0.235969D+02  0.148162D+02  0.714416D+01
                61            62            63            64            65 
      1  -0.182597D+01 -0.108885D+01  0.762454D+01 -0.243052D+01 -0.651498D-01
      2  -0.267779D+02  0.111526D+02 -0.115743D+02 -0.340865D+02  0.483967D+01
      3   0.898733D+01  0.223385D+01 -0.117669D+02  0.195548D+02 -0.955750D+01
                66            67            68            69            70 
      1   0.407450D+00  0.413634D+01  0.512915D+00 -0.412560D+01 -0.168225D+00
      2   0.338207D+01  0.110392D+02  0.909252D+00 -0.146397D+02  0.390987D+01
      3  -0.295518D+01 -0.329176D+01 -0.217185D+02 -0.408046D+01 -0.120802D+02
                71            72            73            74            75 
      1   0.328692D+01 -0.372770D+00  0.968289D+01 -0.313482D+01 -0.101612D+01
      2  -0.166578D+02  0.737200D+01  0.209444D+02 -0.495710D+01  0.932821D+00
      3  -0.532858D+01  0.170069D+02 -0.175990D+02 -0.299712D+01 -0.428646D+01
                76            77            78            79            80 
      1  -0.190444D+01 -0.274685D+01  0.636689D+01 -0.335923D+01  0.137084D+02
      2  -0.382858D+01 -0.352901D+01  0.138242D+02 -0.600337D+01  0.182818D+02
      3  -0.230482D+01  0.162416D+02  0.600933D+01 -0.529891D+01  0.923063D+01
                81            82            83            84            85 
      1  -0.627360D+01 -0.636274D+01  0.308591D+01  0.293407D+01  0.563869D+01
      2  -0.108264D+02  0.260963D+02 -0.238288D+01  0.809501D+01 -0.504826D+01
      3  -0.182235D+02 -0.933539D+01  0.527711D+01  0.912283D+01  0.123602D+02
                86            87            88            89            90 
      1   0.123004D+02 -0.506808D+01  0.350197D+01  0.160075D+01 -0.479459D+01
      2  -0.299730D+01  0.117283D+02  0.620183D+01  0.116338D+02 -0.406613D+01
      3   0.276592D+02  0.179069D+00  0.126225D+02  0.549453D+01 -0.140278D+02
                91            92            93            94            95 
      1  -0.181549D+01 -0.222493D+01 -0.269360D-01 -0.555660D+01  0.188640D+01
      2   0.118246D+02 -0.837840D+00 -0.165791D+01 -0.294452D+01 -0.106788D+02
      3  -0.161577D+01 -0.858248D+00  0.102146D+01  0.149235D+02 -0.612530D+01
                96            97            98            99           100 
      1  -0.874119D+01  0.154733D+01  0.654817D-01  0.375383D-01  0.192551D+01
      2  -0.440402D+01 -0.297163D+02 -0.176323D+01  0.112333D+01 -0.230709D+02
      3   0.143415D+02  0.343812D+01  0.119032D+02  0.293159D+01  0.441429D+01
               101           102           103           104           105 
      1   0.585471D+01  0.248048D+01  0.363821D+01  0.199768D+01  0.442147D+01
      2   0.301727D+01  0.917319D+01  0.715569D+01  0.814034D+01 -0.600619D+01
      3  -0.505094D-01 -0.144285D+01  0.689087D+01  0.130689D+02 -0.998565D+01
               106           107           108           109           110 
      1  -0.114970D+01  0.456275D+01  0.221638D+00 -0.143427D+01 -0.285818D+01
      2  -0.100252D+01 -0.262204D+01  0.665856D+01  0.588130D+00 -0.151495D+01
      3  -0.100344D+01 -0.152748D+02  0.765307D+00 -0.114992D+02 -0.111772D+02
               111           112           113           114           115 
      1  -0.287141D+01 -0.233893D+00 -0.545656D+01 -0.687071D+01 -0.542987D+00
      2   0.479726D+01 -0.835076D+01 -0.758993D+01  0.122295D+02  0.579551D+01
      3   0.166329D+01 -0.509961D+01 -0.328061D+02  0.574889D+01 -0.719641D+00
               116           117           118           119           120 
      1   0.314114D+01  0.977487D+00  0.311461D+01 -0.897216D+00 -0.127317D+01
      2   0.922072D+01 -0.121992D+02  0.854649D+01 -0.348452D+01 -0.674195D+01
      3   0.111921D+02 -0.892325D+01  0.547589D+01 -0.197763D+01 -0.313370D-01
               121           122           123           124           125 
      1   0.289702D+01  0.358373D+01 -0.683108D+01 -0.238917D+01  0.194996D+01
      2   0.324164D+01 -0.482403D+01 -0.586425D+01 -0.852190D+01 -0.294597D+01
      3  -0.411195D-02  0.192191D+02  0.385723D+01  0.207518D+01  0.119300D+01
               126           127           128           129           130 
      1   0.303109D+01 -0.104530D+01  0.109748D+01  0.103567D+01  0.145603D+01
      2   0.776444D+01 -0.334648D+01  0.114203D+01 -0.955171D-01  0.213212D+01
      3   0.546454D+01 -0.334032D+01  0.544489D+00 -0.422165D+00  0.272521D+01
               131           132           133           134           135 
      1  -0.338086D+01 -0.122056D+01 -0.123480D+01  0.393812D+01 -0.730635D-01
      2   0.127566D+00 -0.165556D+01 -0.390536D+01  0.300756D+00  0.982165D+00
      3   0.132101D+01 -0.559308D+00 -0.198008D+01 -0.883528D+00  0.103902D+00
               136           137           138           139           140 
      1  -0.156310D+01 -0.236664D+01 -0.140630D+01 -0.122599D+01 -0.169955D+01
      2   0.456841D+01  0.186272D+01  0.613783D+00  0.213947D+01  0.145968D+01
      3   0.638630D+01  0.664034D+00 -0.558657D+00  0.435102D+01 -0.917461D+00
               141           142           143           144           145 
      1  -0.275810D+01  0.130128D+00  0.197613D+01  0.174393D+00  0.167385D+01
      2   0.133827D+01 -0.120538D+01 -0.532101D+00 -0.650481D+00 -0.120486D+01
      3  -0.890991D-01  0.497105D+00  0.119567D+01  0.116234D+00 -0.456069D+01
               146           147           148           149           150 
      1  -0.404558D+00  0.267774D+01 -0.754744D+00  0.481948D+00 -0.450801D+01
      2   0.139155D+00  0.517539D+00  0.887987D+00  0.537971D+00 -0.191297D+01
      3   0.924909D+00 -0.187888D+01  0.370106D+01 -0.167245D+00  0.971843D+00
               151           152           153           154           155 
      1   0.660635D+00  0.126111D+01  0.226534D+01  0.101391D+01 -0.671817D+00
      2  -0.258808D+01 -0.138242D+00  0.695546D+00  0.153540D+01  0.585992D+00
      3  -0.326218D+01  0.708568D+00 -0.127043D+01  0.733445D+01  0.850191D+00
               156           157           158           159           160 
      1  -0.208720D+01  0.167426D+01  0.169986D+01 -0.398797D+01 -0.420665D+00
      2   0.969555D+00  0.139571D-01  0.214794D+00  0.186548D+01 -0.138065D+01
      3  -0.112176D+01  0.534267D+01 -0.107210D+01 -0.517643D+00  0.659665D-02
               161           162           163           164           165 
      1   0.810548D+00  0.774149D+00  0.214642D+01  0.194098D+01 -0.550582D-01
      2   0.121538D+00 -0.543951D+00 -0.310910D+01 -0.992668D-01  0.313530D+01
      3   0.117658D+01  0.177912D+00 -0.469438D+01 -0.556971D+01 -0.225512D+01
               166           167           168           169           170 
      1   0.271636D+01  0.951246D+01 -0.251404D+00  0.725115D+00  0.180565D+01
      2  -0.129661D+01  0.380605D+01  0.410527D+01  0.270667D+01  0.236823D+01
      3  -0.296133D+01 -0.221415D+02 -0.775645D+01 -0.349508D+01 -0.311212D+01
               171           172           173           174           175 
      1   0.456479D-01 -0.190760D+01  0.875026D+00 -0.585566D+00  0.156280D+01
      2   0.386048D+01  0.310795D+01  0.571019D+00  0.261269D+01  0.248862D+01
      3  -0.297244D+01  0.446127D+01 -0.317557D+01  0.114672D+01 -0.342647D+01
               176           177           178           179           180 
      1  -0.255372D+01  0.310913D+01 -0.178909D+01  0.549302D+01 -0.685551D+01
      2   0.357148D+01 -0.830933D+01  0.207128D+01 -0.351760D+01  0.241511D+02
      3   0.233758D+01 -0.581660D+01  0.183848D+01 -0.425493D+01  0.682990D+01
               181           182           183           184           185 
      1   0.368707D+00  0.114067D+01 -0.132976D-01  0.265879D+00  0.673566D-01
      2   0.942659D+01  0.637188D-01  0.109467D+02 -0.104264D+01  0.165570D+01
      3  -0.409073D+01 -0.807015D+01 -0.434221D+00 -0.522248D+01  0.758150D+00
               186           187           188           189           190 
      1  -0.722159D+00 -0.932076D-02  0.166334D+01  0.217521D+00  0.858217D+00
      2   0.371301D+01  0.671288D+01  0.358919D+01  0.858656D+01  0.249326D+01
      3  -0.245447D+01  0.119796D+01 -0.326872D+01 -0.328692D+01  0.576993D+01
               191           192           193           194           195 
      1   0.699791D-01  0.868916D-01 -0.241520D+00  0.327026D+01 -0.668313D+01
      2   0.184672D+00  0.108343D+01  0.146262D+00  0.861265D+01 -0.922465D+01
      3  -0.192390D+00 -0.108546D+01  0.128616D+01  0.116287D+02 -0.944341D+01
               196           197           198           199           200 
      1   0.289419D+00 -0.348233D+01  0.122457D+02 -0.330879D+01  0.103707D+00
      2  -0.132113D+01 -0.121737D+02  0.210233D+02 -0.918189D+01 -0.160878D+01
      3  -0.141366D+01 -0.145503D+02  0.136758D+02  0.199107D+02  0.699480D+01
               201           202           203           204           205 
      1  -0.362247D+01 -0.340548D+00 -0.832387D+00 -0.239840D+01 -0.268076D+01
      2  -0.427846D+01 -0.780783D+00 -0.183522D+01 -0.240375D+01 -0.637476D+01
      3   0.600594D+01  0.754896D+01  0.460378D+01  0.262382D+01  0.611949D+01
               206           207           208           209           210 
      1  -0.622505D+00 -0.264682D+01 -0.590606D+01  0.200399D+01  0.508364D+01
      2  -0.415530D+01 -0.446789D+01 -0.106391D+02  0.549320D+01  0.930650D+01
      3   0.423344D+01  0.734953D+01  0.299083D+01 -0.914732D+01 -0.344442D+00
               211           212           213           214           215 
      1   0.289814D+01 -0.207966D+01 -0.409497D+01  0.502698D+01 -0.258660D+01
      2   0.373872D+01 -0.483627D+01 -0.572861D+01  0.798588D+01 -0.833172D+01
      3  -0.365642D+01  0.703764D+01  0.245963D+01 -0.976998D-01  0.604493D+01
               216           217           218           219           220 
      1  -0.484169D+01  0.685205D+00  0.237176D+01  0.109300D+01  0.126616D+01
      2  -0.914113D+01 -0.214214D+02  0.255499D+00 -0.116857D+02 -0.322162D+00
      3   0.459307D+01 -0.428714D+01  0.174509D+01 -0.205069D+01  0.355478D+01
               221           222           223           224           225 
      1  -0.267503D+00 -0.183023D-01  0.933481D+00  0.217292D+01  0.183643D+01
      2  -0.275552D+01 -0.309504D+01 -0.119084D+02 -0.878891D+00 -0.131736D+02
      3  -0.226586D+01  0.161383D+01 -0.210377D+01  0.119561D+01 -0.719336D+00
               226           227           228           229           230 
      1  -0.126321D+01 -0.198665D+01 -0.624860D+00 -0.221821D+01 -0.126997D+02
      2  -0.291261D+01  0.110340D+01  0.163649D+01  0.865758D+00 -0.272873D+01
      3  -0.555058D+01 -0.557576D+01 -0.179503D+00 -0.338892D+01 -0.364533D+02
               231           232           233           234           235 
      1  -0.334502D+01 -0.218384D+00 -0.145727D+00 -0.104817D+01  0.498751D+01
      2   0.571207D+01 -0.502825D+00  0.280015D+01  0.652388D+00 -0.935431D+01
      3   0.300913D+01 -0.417761D+00 -0.209492D+01 -0.268612D+01  0.910709D+01
               236           237           238           239           240 
      1  -0.388098D+01 -0.305078D+01 -0.317447D+01  0.182869D+01  0.133030D+01
      2   0.583965D+00  0.108916D+02  0.280701D+01 -0.203830D+01 -0.721316D+01
      3  -0.869423D+01 -0.520490D+01 -0.736724D+01  0.330265D+01  0.449019D+01
               241           242           243           244           245 
      1  -0.409541D+01  0.332109D+01  0.370546D+01 -0.212899D+01  0.116509D+01
      2   0.727623D+01 -0.269065D+01 -0.140335D+02  0.146417D+01  0.260597D+00
      3  -0.554908D+01  0.407175D+01  0.606932D+01  0.548698D+01 -0.275552D+01
               246           247           248           249           250 
      1  -0.294549D+00  0.113295D+01 -0.538347D+01 -0.564596D+00 -0.721929D+00
      2   0.253395D+01  0.467159D+00  0.486002D+01 -0.471068D+01  0.179612D+01
      3   0.156771D+01  0.741510D-02  0.136319D+02 -0.566119D+01  0.124788D+01
               251           252           253           254           255 
      1   0.320183D+01 -0.562905D+00  0.416854D+01  0.385454D+01 -0.386717D+01
      2  -0.380493D+01  0.586577D+01 -0.477510D+01  0.121504D+01  0.187810D+02
      3  -0.675660D+01  0.410741D+01 -0.457089D+01 -0.726061D+01 -0.654650D+01
               256           257           258           259           260 
      1   0.419092D+01 -0.101028D+02  0.391714D+01 -0.111888D+01  0.983467D+01
      2   0.172331D+01  0.922119D+01  0.663919D+01  0.144174D+02  0.351009D+01
      3  -0.711795D+01  0.662073D+01 -0.132825D+02 -0.739519D+01 -0.121478D+02
               261           262           263           264           265 
      1   0.602046D+01 -0.262641D+01 -0.475447D+00  0.294124D+01 -0.125904D+00
      2  -0.725490D+01 -0.776400D+01  0.329849D+01  0.953260D+01 -0.140869D+01
      3  -0.219732D+01  0.851136D+00 -0.363455D+01 -0.296885D+00 -0.126235D+01
               266           267           268           269           270 
      1  -0.769678D+00 -0.183530D-01  0.395989D+01  0.427456D+00 -0.501792D+01
      2  -0.142478D+01  0.143669D+01  0.111481D+02 -0.465142D+01 -0.182558D+02
      3   0.118453D+01  0.154777D+01 -0.427673D+00  0.494777D+01  0.152105D+01
               271           272           273           274           275 
      1   0.265037D+01 -0.196626D+01  0.116011D+01 -0.108595D+01  0.139600D+02
      2   0.720252D-01 -0.118448D+01 -0.909265D+00 -0.144202D+01 -0.147271D+01
      3  -0.366848D+01  0.295541D+01 -0.720832D+00  0.407046D+01 -0.176624D+02
               276           277           278           279           280 
      1  -0.585590D+01  0.116125D+01 -0.420276D+01  0.520013D+01 -0.140206D+01
      2   0.297437D+01 -0.165362D+01  0.122219D+01 -0.291584D+01 -0.572009D+01
      3   0.260406D+01 -0.258005D+01  0.632506D+01 -0.214240D+01  0.536806D+01
               281           282           283           284           285 
      1   0.323521D+01 -0.178671D+01  0.210766D+01  0.146015D+01 -0.413153D+00
      2   0.723013D+00  0.423506D+01 -0.117993D+00 -0.111599D+01 -0.486268D+00
      3  -0.561576D+01  0.883476D+00 -0.191558D+01 -0.145942D+01 -0.397431D+00
               286           287           288           289           290 
      1  -0.188526D+01  0.103836D+01 -0.212782D+01 -0.284908D+01 -0.307673D+01
      2   0.524119D+00  0.488252D+00  0.455587D+01  0.132392D+02 -0.138314D+01
      3   0.209964D+01 -0.126584D+01  0.822970D+00 -0.367075D+01  0.172556D+01
               291           292           293           294           295 
      1   0.320246D+01 -0.203566D+01 -0.468008D+00  0.462797D+00  0.233991D+01
      2  -0.135238D+02  0.122035D+01  0.253001D+01 -0.183645D+01 -0.117275D+02
      3   0.424149D+01  0.234469D+01 -0.109363D+01 -0.881839D+00  0.322579D+01
               296           297 
      1   0.254742D+01 -0.624205D+01
      2   0.173518D+01  0.212188D+02
      3  -0.105062D+01 -0.457378D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.111005D+01  0.152235D+02 -0.577608D+01 -0.256386D+02  0.156490D+02
      2   0.591756D+01 -0.136813D+02  0.771024D+01  0.166930D+02 -0.487556D+01
      3  -0.480752D+01 -0.154220D+01 -0.193416D+01  0.894559D+01 -0.107735D+02
      4   0.125684D+02  0.489532D+01  0.595884D+01  0.156451D+02  0.142130D+00
      5  -0.926561D+01  0.789125D+01 -0.630354D+01 -0.639958D+01 -0.281341D+01
      6   0.894276D+01  0.225188D+01  0.307347D+00 -0.526607D+01  0.952536D+01
                 6             7             8             9            10 
      1  -0.126732D+02  0.966893D+01  0.319648D+01 -0.101457D+02  0.531136D+02
      2   0.736609D+01 -0.748734D+01  0.180690D+01 -0.995186D+01 -0.279019D+02
      3   0.530708D+01 -0.218159D+01 -0.500337D+01  0.200975D+02 -0.252117D+02
      4  -0.309323D+01  0.909104D+01 -0.735493D+01  0.374782D+01 -0.329841D+01
      5  -0.214642D+01  0.392563D+01  0.345967D+01 -0.237240D+01  0.697384D+01
      6  -0.595040D+01  0.628379D+01 -0.124188D+01  0.441713D+01  0.716511D+00
                11            12            13            14            15 
      1  -0.316016D+01  0.539704D+01 -0.129379D+02 -0.173865D+02  0.711703D+01
      2   0.630214D+01 -0.556682D+01  0.399152D+01  0.133946D+02 -0.119423D+02
      3  -0.314198D+01  0.169779D+00  0.894635D+01  0.399184D+01  0.482525D+01
      4   0.718628D+01 -0.419957D+01 -0.121364D+02  0.302034D+01  0.373621D+00
      5  -0.361767D+01  0.187624D+01  0.132455D+02 -0.999722D+00  0.150286D+01
      6   0.186664D+01 -0.290330D+00 -0.178797D+01 -0.501173D+01  0.527183D+01
                16            17            18            19            20 
      1   0.188296D+01  0.835432D+01 -0.778230D+01  0.795150D+00 -0.156976D+02
      2  -0.382159D+01 -0.269112D+01 -0.795886D+00 -0.953504D+01  0.717526D+01
      3   0.193862D+01 -0.566320D+01  0.857819D+01  0.873989D+01  0.852238D+01
      4   0.154343D+02  0.322124D+01 -0.120889D+00 -0.158520D+02 -0.733268D+01
      5   0.817418D+01  0.468455D+00  0.475204D+01  0.318474D+01 -0.356845D+01
      6   0.972375D+01  0.118568D+02  0.513402D+01 -0.574575D+01 -0.567269D+01
                21            22            23            24            25 
      1   0.133055D+02  0.177539D+02  0.226066D+01 -0.351137D+01 -0.105965D+02
      2  -0.217993D+01 -0.123231D+02 -0.183171D+01  0.393971D+01  0.111028D+02
      3  -0.111256D+02 -0.543075D+01 -0.428946D+00 -0.428342D+00 -0.506356D+00
      4  -0.136845D+01  0.697346D+01 -0.550574D+01  0.600232D+01 -0.897586D+01
      5   0.736702D+01  0.288739D+01  0.749328D+01 -0.197386D+01  0.796916D+01
      6   0.108549D+01  0.126834D+02  0.878366D+01  0.478652D+01 -0.749550D+01
                26            27            28            29            30 
      1  -0.143519D+02  0.216993D+00  0.561141D+01  0.257519D+01  0.152708D+01
      2   0.148072D+02 -0.587900D+01 -0.617903D+01 -0.355432D+01 -0.235153D+01
      3  -0.455217D+00  0.566201D+01  0.567621D+00  0.979133D+00  0.824456D+00
      4  -0.768206D+00 -0.328713D+01 -0.187271D+01  0.618114D+01 -0.115386D+01
      5  -0.202529D+01 -0.480736D+01  0.416005D+01 -0.887604D+00  0.449247D+01
      6  -0.292119D+00 -0.137595D+00  0.669064D+01  0.171873D+01 -0.206161D+01
                31            32            33            34            35 
      1  -0.774072D+01 -0.175562D+02  0.537015D+01 -0.606183D+01  0.840288D+01
      2  -0.167685D+01  0.102872D+02 -0.134509D+02  0.104663D+01 -0.655499D+01
      3   0.941756D+01  0.726897D+01  0.808078D+01  0.501520D+01 -0.184789D+01
      4  -0.122082D+02 -0.233692D+01  0.791024D+00  0.159936D+02  0.377727D+01
      5   0.133815D+02  0.840152D+00  0.574029D+01  0.125753D+02  0.211758D+01
      6  -0.617941D+01 -0.750884D+01  0.393780D+01  0.365545D+01  0.100849D+02
                36            37            38            39            40 
      1  -0.380321D+01  0.958328D+01  0.220525D+02 -0.250460D+01 -0.142605D+02
      2   0.117312D+00  0.229758D+01 -0.211955D+02  0.551034D+01  0.129825D+02
      3   0.368590D+01 -0.118809D+02 -0.857007D+00 -0.300574D+01  0.127796D+01
      4   0.152608D+01  0.913057D+01 -0.698964D+00  0.627938D+01  0.111495D+02
      5  -0.113290D+01 -0.853481D+01  0.881989D+01 -0.684483D+01 -0.886276D+00
      6   0.283709D+01  0.660141D+01 -0.291988D+01 -0.871093D+00 -0.836883D+01
                41            42            43            44            45 
      1   0.782935D+01 -0.106397D+02  0.780671D+01 -0.257947D+01 -0.798159D+01
      2   0.216139D+01  0.111054D+02 -0.103781D+02  0.742979D+01 -0.660706D+01
      3  -0.999074D+01 -0.465734D+00  0.257137D+01 -0.485032D+01  0.145886D+02
      4   0.185509D+01 -0.493971D+01  0.476739D+01 -0.109807D+02  0.461108D+01
      5  -0.414962D+01 -0.332515D+01  0.800416D+01  0.430750D+01 -0.170867D+01
      6   0.132478D+02 -0.630893D+01  0.571337D+01  0.140945D+01 -0.345438D+00
                46            47            48            49            50 
      1  -0.335272D+01 -0.170853D+02  0.803259D+01  0.251407D+02 -0.446807D+01
      2  -0.679844D+01  0.889904D+01 -0.396238D+01 -0.197846D+02  0.285637D+01
      3   0.101512D+02  0.818628D+01 -0.407021D+01 -0.535617D+01  0.161170D+01
      4  -0.123211D+02 -0.992215D+01 -0.111866D+01  0.119054D+01 -0.695600D+01
      5  -0.142785D+01 -0.371703D+01  0.896061D+01  0.731377D+01  0.607800D+01
      6  -0.422245D+01 -0.783015D+01  0.513566D+01  0.109508D+02  0.126175D+02
                51            52            53            54            55 
      1  -0.319466D+01 -0.271231D+02 -0.211171D+02  0.928638D+00 -0.469297D+02
      2   0.479826D+01  0.167592D+02  0.224273D+02 -0.291047D+01  0.200043D+02
      3  -0.160360D+01  0.103639D+02 -0.131022D+01  0.198183D+01  0.269254D+02
      4   0.599480D+01 -0.860855D+01  0.147416D+01  0.242230D+00  0.118499D+02
      5   0.165592D+00  0.102480D+02 -0.192079D+01 -0.355843D+01  0.179281D+02
      6   0.654330D+01 -0.399916D+01  0.527068D+01  0.543040D+00  0.131237D+01
                56            57            58            59            60 
      1   0.107991D+02  0.142163D+02  0.249033D+02 -0.397616D+01 -0.103383D+02
      2  -0.531259D+01 -0.644170D+01 -0.202124D+02 -0.390210D+01 -0.674836D+01
      3  -0.548655D+01 -0.777460D+01 -0.469096D+01  0.787826D+01  0.170866D+02
      4  -0.173490D+02 -0.726176D+01 -0.268279D+02 -0.400802D+02 -0.176758D+02
      5  -0.773633D+01 -0.121013D+02 -0.101561D+02 -0.169919D+02  0.197539D+02
      6  -0.383728D+01 -0.181759D+01 -0.118642D+02 -0.150475D+02 -0.688145D+01
                61            62            63            64            65 
      1   0.405354D+02 -0.113553D+02  0.371140D+01 -0.458981D+02 -0.244761D+02
      2  -0.117393D+02 -0.275795D+01  0.152783D+02  0.276830D+02  0.102453D+02
      3  -0.287960D+02  0.141133D+02 -0.189897D+02  0.182150D+02  0.142308D+02
      4  -0.103608D+02 -0.669420D+01  0.153035D+02 -0.259285D+02  0.134422D+02
      5  -0.209565D+02  0.152677D+02 -0.333364D+02 -0.618998D+02  0.547784D+01
      6  -0.176108D+01 -0.357706D+01  0.532347D+01  0.709059D+00  0.273373D+00
                66            67            68            69            70 
      1  -0.572459D+02 -0.438651D+02  0.109227D+02  0.533841D+01 -0.887914D+02
      2   0.281018D+02  0.264519D+02 -0.115612D+02 -0.477081D+01  0.432895D+02
      3   0.291441D+02  0.174132D+02  0.638524D+00 -0.567598D+00  0.455019D+02
      4   0.654132D+01  0.868925D+01  0.407571D+02  0.572046D+01  0.140392D+02
      5  -0.449780D+01  0.898047D+01  0.432301D+01 -0.286105D+02 -0.908390D+01
      6   0.990225D+00  0.151094D+01 -0.322890D+00  0.838214D-01 -0.322997D+01
                71            72            73            74            75 
      1   0.964510D+01 -0.150391D+02  0.804269D+01  0.281618D+02  0.392892D+02
      2  -0.646474D+01  0.109280D+02 -0.126303D+02 -0.949937D+01 -0.173596D+02
      3  -0.318037D+01  0.411111D+01  0.458757D+01 -0.186625D+02 -0.219295D+02
      4   0.111679D+02 -0.308361D+02  0.278208D+02 -0.269611D+02 -0.236699D+02
      5  -0.312502D+02  0.122150D+02  0.396931D+02 -0.147642D+02 -0.554080D+01
      6   0.135316D+01  0.212465D+01 -0.193326D+02  0.500423D+01  0.760342D-01
                76            77            78            79            80 
      1   0.300840D+02 -0.161210D+02 -0.121507D+02  0.497845D+02 -0.207368D+02
      2  -0.131122D+02  0.195121D+02  0.790637D+01 -0.215899D+02  0.120252D+02
      3  -0.169718D+02 -0.339106D+01  0.424428D+01 -0.281946D+02  0.871159D+01
      4  -0.191018D+02 -0.171807D+02 -0.474538D+01 -0.288385D+02 -0.678130D+01
      5  -0.992473D+01 -0.492086D+01  0.289545D+02 -0.110802D+02  0.382361D+02
      6   0.367333D+01  0.562723D+01 -0.154875D+02  0.536832D+01 -0.182821D+02
                81            82            83            84            85 
      1   0.579180D+01  0.413387D+01  0.178579D+02  0.519285D+02  0.276768D+02
      2  -0.112310D+02  0.144529D+02 -0.130711D+02 -0.269923D+02 -0.228966D+02
      3   0.543925D+01 -0.185868D+02 -0.478681D+01 -0.249362D+02 -0.478029D+01
      4   0.387080D+02  0.195551D+02 -0.108160D+02 -0.572150D+01 -0.160487D+02
      5  -0.223564D+02  0.480616D+02 -0.115838D+02 -0.232739D+02 -0.226976D+02
      6   0.121988D+02 -0.342647D+01  0.250726D+01  0.324945D+01  0.355597D+01
                86            87            88            89            90 
      1  -0.112248D+02 -0.128713D+02  0.586743D+02 -0.802956D+01 -0.803297D+01
      2  -0.101038D+02  0.135314D+02 -0.316787D+02  0.102488D+02  0.542589D+01
      3   0.213286D+02 -0.660179D+00 -0.269956D+02 -0.221924D+01  0.260708D+01
      4  -0.603715D+02 -0.258552D+01 -0.101675D+02 -0.126325D+02  0.258146D+02
      5   0.126895D+01  0.289973D+02 -0.193267D+02  0.268239D+02 -0.207610D+01
      6   0.107491D+02  0.321389D+01  0.531828D+01  0.381093D+01 -0.929771D+01
                91            92            93            94            95 
      1   0.627387D+01  0.892089D+01  0.171659D+02  0.407069D+01  0.486017D+01
      2  -0.578353D+01 -0.455913D+01 -0.516592D+01  0.152542D+01  0.288346D+01
      3  -0.490348D+00 -0.436176D+01 -0.119999D+02 -0.559611D+01 -0.774363D+01
      4   0.817406D+01 -0.513089D+01 -0.447969D-01 -0.136766D+02  0.133366D+02
      5   0.139599D+02  0.160707D-01 -0.779174D+01 -0.901008D+01 -0.267622D+02
      6   0.122008D+01 -0.515839D+01 -0.667862D+00 -0.136474D+02  0.459381D+01
                96            97            98            99           100 
      1   0.410500D+01  0.305693D+02  0.141559D+01 -0.111694D+02 -0.408866D+01
      2   0.343323D+01 -0.120627D+02 -0.649553D+00  0.587595D+01 -0.800397D+00
      3  -0.753823D+01 -0.185066D+02 -0.766040D+00  0.529343D+01  0.488906D+01
      4  -0.260365D+02 -0.881551D+01 -0.215454D+02 -0.884228D+00 -0.144916D+02
      5  -0.931058D+01 -0.316066D+02 -0.511065D+00 -0.321614D+01  0.324400D+01
      6  -0.171048D+02 -0.384888D+01 -0.127474D+02 -0.456680D+01  0.143709D+01
               101           102           103           104           105 
      1  -0.100693D+02 -0.543470D+01 -0.243702D+02 -0.149883D+02  0.772892D+01
      2   0.497645D+01  0.877740D+00  0.150416D+02  0.216597D+01 -0.885319D+01
      3   0.509288D+01  0.455696D+01  0.932859D+01  0.128223D+02  0.112427D+01
      4  -0.149188D+02  0.269698D+01 -0.297453D+02 -0.210335D+02  0.190850D+02
      5   0.302282D+01  0.752012D+01  0.143989D+02  0.189088D+02 -0.125715D+02
      6   0.806229D+01 -0.784157D+00  0.932709D+01  0.403444D+01 -0.100491D+02
               106           107           108           109           110 
      1   0.723270D+01  0.583651D+01  0.142794D+02  0.450598D+02  0.255871D+02
      2   0.119091D+00 -0.280870D+01 -0.830343D+01 -0.201978D+02 -0.970783D+01
      3  -0.735179D+01 -0.302780D+01 -0.597597D+01 -0.248620D+02 -0.158793D+02
      4   0.722986D+01  0.278978D+02 -0.611434D+01  0.351155D+02  0.296921D+02
      5   0.126686D+02 -0.573763D+01 -0.326715D+01 -0.173556D+02 -0.701484D+01
      6  -0.455592D+00 -0.547379D+01  0.638245D+00 -0.693021D+01 -0.598132D+01
               111           112           113           114           115 
      1  -0.108940D+02  0.436618D+02  0.127561D+02 -0.539532D+01 -0.174340D+02
      2   0.623245D+01 -0.179390D+02  0.565643D+01  0.351719D+01  0.114491D+02
      3   0.466158D+01 -0.257228D+02 -0.184126D+02  0.187813D+01  0.598484D+01
      4  -0.494042D+01  0.403923D+02  0.687134D+02 -0.146607D+02 -0.108863D+02
      5   0.121979D+02 -0.179908D+02 -0.147604D+02  0.248770D+02  0.215113D+02
      6   0.360382D+01 -0.682823D+01 -0.171704D+02  0.139049D+02  0.384980D+01
               116           117           118           119           120 
      1  -0.187410D+01  0.218098D+01  0.418945D+00 -0.129660D+02  0.115296D+02
      2   0.129358D+01 -0.724507D+01  0.816725D+01  0.288435D+01 -0.107996D+02
      3   0.580515D+00  0.506410D+01 -0.858620D+01  0.100817D+02 -0.729997D+00
      4  -0.223701D+02  0.199077D+02 -0.108872D+02  0.929773D+01 -0.617000D+01
      5   0.193058D+02 -0.218794D+02  0.180979D+02 -0.293783D+01 -0.181816D+02
      6   0.144525D+02 -0.966658D+01 -0.198585D+01  0.224443D-02  0.282487D+01
               121           122           123           124           125 
      1  -0.228757D+02  0.307868D+01 -0.285722D+01  0.217317D+02 -0.100708D+02
      2   0.655755D+01  0.129046D+02  0.168462D+01 -0.175208D+02  0.443923D+01
      3   0.163181D+02 -0.159832D+02  0.117260D+01 -0.421094D+01  0.563152D+01
      4   0.291016D+02 -0.444163D+02 -0.129416D+02 -0.726417D+01 -0.591756D+00
      5   0.858386D+01 -0.103412D+02 -0.123145D+02 -0.218128D+02 -0.312686D+01
      6  -0.529321D+01  0.120635D+02  0.119112D+02  0.379417D+01  0.727788D+01
               126           127           128           129           130 
      1  -0.240306D+02  0.903037D+00  0.943105D+00 -0.278546D+01  0.317716D+01
      2   0.161565D+02 -0.121792D+01  0.509058D-01 -0.159846D+01 -0.256141D+01
      3   0.787405D+01  0.314885D+00 -0.994011D+00  0.438391D+01 -0.615754D+00
      4  -0.210259D+01 -0.696071D+01  0.675714D+01 -0.428510D+01  0.797821D+01
      5   0.250434D+02  0.438041D+01 -0.398597D+01  0.511806D+01 -0.414648D+01
      6   0.125320D+01 -0.452558D+01  0.470998D+01 -0.413119D+01  0.618323D+01
               131           132           133           134           135 
      1  -0.154655D+02  0.124085D+02 -0.126852D+01  0.928513D+01 -0.112130D+02
      2   0.114826D+02 -0.372270D+01 -0.794269D+00 -0.452536D+01  0.943691D+00
      3   0.398290D+01 -0.868576D+01  0.206279D+01 -0.475977D+01  0.102693D+02
      4  -0.113271D+02  0.653678D+01 -0.657810D+01  0.854724D+01 -0.691162D+01
      5   0.471921D+01 -0.441667D+01  0.536762D+01 -0.486150D+01  0.731272D+01
      6  -0.166750D+02  0.138862D+02 -0.562609D+01  0.123815D+02 -0.127908D+02
               136           137           138           139           140 
      1   0.493256D+01 -0.177902D+01  0.145610D+00 -0.392035D+01 -0.120559D+02
      2   0.691821D+00  0.509081D+01 -0.313802D+00  0.656026D+01  0.170524D+02
      3  -0.562438D+01 -0.331179D+01  0.168192D+00 -0.263991D+01 -0.499648D+01
      4   0.911143D+01  0.817915D+01 -0.192483D+01  0.101485D+02  0.130360D+02
      5  -0.623667D+01 -0.341932D+01  0.337337D+01 -0.558169D+01 -0.707381D+01
      6  -0.216534D+01 -0.225188D+01  0.228558D+01 -0.484706D+01 -0.879027D+01
               141           142           143           144           145 
      1   0.455657D+01  0.151500D+01  0.513000D+01 -0.337490D+01 -0.286514D+01
      2  -0.329227D+01 -0.186715D+01 -0.548852D+01  0.224298D+01  0.354504D+01
      3  -0.126430D+01  0.352155D+00  0.358513D+00  0.113191D+01 -0.679908D+00
      4  -0.350444D+01 -0.321966D+01 -0.290464D+01  0.259378D+01 -0.806513D+01
      5   0.527229D+01  0.278327D+01  0.308955D+01 -0.292465D+01  0.466410D+01
      6   0.636397D+01  0.263829D+01  0.512476D+01 -0.378282D+01 -0.631042D+01
               146           147           148           149           150 
      1   0.464736D+01 -0.417756D+01  0.664259D+01 -0.230608D+02  0.145370D+02
      2  -0.514160D+01  0.191382D+01 -0.748110D+01  0.259921D+02 -0.112698D+02
      3   0.494242D+00  0.226374D+01  0.838509D+00 -0.293123D+01 -0.326724D+01
      4   0.921681D+01 -0.582833D+01  0.880920D+01 -0.128928D+02  0.677607D+01
      5  -0.396902D+01  0.488338D+01 -0.388561D+01  0.346812D+01 -0.346580D+01
      6   0.645300D+01 -0.595259D+01  0.729631D+01 -0.200545D+02  0.154161D+02
               151           152           153           154           155 
      1  -0.475357D+01  0.145698D+02 -0.119843D+02  0.301230D+01 -0.353174D+01
      2   0.476325D+01 -0.139616D+02  0.707499D+01  0.645247D+01  0.124882D+02
      3  -0.968105D-02 -0.608211D+00  0.490928D+01 -0.946477D+01 -0.895648D+01
      4  -0.668959D+01  0.942749D+01 -0.672492D+01  0.153359D+02  0.154305D+02
      5   0.383590D+01 -0.359762D+01  0.475565D+01 -0.573700D+01 -0.377972D+01
      6  -0.592289D+01  0.140116D+02 -0.131226D+02 -0.168156D+01 -0.856937D+00
               156           157           158           159           160 
      1  -0.109084D+01 -0.260695D+01 -0.166627D+02  0.349901D+01  0.325954D+01
      2  -0.664232D+00  0.124030D+02  0.320619D+02 -0.537156D+01 -0.382699D+01
      3   0.175507D+01 -0.979609D+01 -0.153991D+02  0.187255D+01  0.567449D+00
      4  -0.297815D+01  0.171582D+02  0.243322D+02 -0.533339D+01 -0.319792D+01
      5   0.352941D+01 -0.633695D+01 -0.745760D+01  0.513917D+01  0.258933D+01
      6   0.278435D+01 -0.413631D+01 -0.770032D+01  0.626533D+01  0.288426D+01
               161           162           163           164           165 
      1   0.681552D+01 -0.287710D+01  0.130451D+02  0.772863D+01  0.262994D+00
      2  -0.990210D+01  0.335669D+01 -0.262771D+01 -0.229780D+01 -0.647032D+00
      3   0.308658D+01 -0.479590D+00 -0.104174D+02 -0.543083D+01  0.384038D+00
      4  -0.481167D+01  0.384014D+01  0.159619D+02  0.182648D+02  0.713958D+01
      5   0.393318D+01 -0.232552D+01  0.477797D+01  0.821772D+01  0.840149D+01
      6   0.510017D+01 -0.330167D+01  0.574269D+01  0.494395D+01  0.292310D+01
               166           167           168           169           170 
      1   0.124764D+02 -0.731023D+01 -0.272143D+01 -0.739131D+01 -0.134114D+01
      2  -0.138328D+01  0.180009D+02  0.325275D+01  0.256179D+01  0.476885D+00
      3  -0.110931D+02 -0.106907D+02 -0.531326D+00  0.482952D+01  0.864255D+00
      4   0.258742D+02  0.514570D+02  0.188203D+02  0.545916D+01  0.733567D+01
      5   0.128167D+02  0.183857D+02  0.122391D+02  0.770986D+01  0.797454D+01
      6   0.997065D+01  0.233739D+02  0.134217D+02  0.337197D+01  0.909066D+01
               171           172           173           174           175 
      1  -0.235825D+01  0.479840D+01 -0.381858D+01  0.610011D+01 -0.122911D+02
      2  -0.695415D+00 -0.747323D+01  0.258206D+01 -0.545590D+01  0.100716D+02
      3   0.305367D+01  0.267483D+01  0.123653D+01 -0.644207D+00  0.221948D+01
      4   0.850500D+01 -0.512176D+01  0.478376D+01 -0.719435D+00  0.683040D+01
      5   0.103942D+02  0.987701D+01 -0.179239D+01  0.144888D+02 -0.751947D+01
      6   0.600251D+01 -0.226505D+01  0.111086D+01 -0.989664D-01  0.286605D+01
               176           177           178           179           180 
      1  -0.152900D+01  0.547716D+01  0.438405D+01  0.262759D+01 -0.177267D+02
      2  -0.189850D+01  0.677771D+01 -0.109023D+02  0.341027D+01 -0.240723D+02
      3   0.342750D+01 -0.122549D+02  0.651824D+01 -0.603785D+01  0.417990D+02
      4  -0.338806D+01  0.997665D+01 -0.153451D+01  0.719309D+01 -0.805511D+01
      5   0.102706D+02 -0.189396D+02  0.221646D+02 -0.805423D+01  0.542961D+02
      6  -0.315668D+01  0.715620D+01 -0.100788D+01  0.600473D+01 -0.240584D+01
               181           182           183           184           185 
      1   0.121348D+03  0.121267D+02  0.385858D+02  0.166630D+02  0.140017D+02
      2  -0.649793D+02 -0.739848D+01 -0.215486D+02 -0.865105D+01 -0.558748D+01
      3  -0.563685D+02 -0.472825D+01 -0.170372D+02 -0.801191D+01 -0.841425D+01
      4   0.108071D+02  0.134530D+02  0.178583D+01  0.198643D+02  0.819643D+00
      5   0.445322D+02  0.255923D+01  0.269789D+02  0.289902D+01  0.698237D+01
      6   0.131647D+01  0.119937D+01  0.941937D+00  0.314021D+01  0.121601D+01
               186           187           188           189           190 
      1   0.288436D+01  0.455878D+02  0.189615D+01  0.264256D+02 -0.393419D-01
      2  -0.141490D+01 -0.271453D+02 -0.164080D+01 -0.188028D+02  0.151794D+01
      3  -0.146946D+01 -0.184426D+02 -0.255343D+00 -0.762277D+01 -0.147860D+01
      4   0.689338D+01  0.813099D+00  0.541446D+01  0.601050D+01 -0.932845D+01
      5   0.679007D+01  0.341838D+02  0.676014D+01  0.244754D+02  0.487345D+01
      6   0.316071D+01  0.876041D+00  0.232490D+01  0.941619D+00 -0.261264D+01
               191           192           193           194           195 
      1  -0.969599D+01  0.505659D+01 -0.658917D+01 -0.830064D+01  0.777545D+01
      2   0.461924D+01 -0.310524D+01  0.143808D+01  0.152072D+02 -0.105590D+02
      3   0.507675D+01 -0.195136D+01  0.515109D+01 -0.690660D+01  0.278354D+01
      4   0.769081D+01 -0.254416D+01  0.103512D+02 -0.243611D+02  0.176138D+02
      5  -0.151446D+01  0.550041D+01 -0.307912D+01  0.179306D+02 -0.187512D+02
      6  -0.132448D+00 -0.453807D+00  0.153266D+01 -0.141060D+02  0.156299D+02
               196           197           198           199           200 
      1   0.703797D+01  0.968942D+01 -0.113374D+02 -0.403812D+02 -0.120002D+02
      2  -0.242188D+01 -0.135287D+02  0.583551D+01  0.220503D+02  0.116414D+02
      3  -0.461609D+01  0.383928D+01  0.550194D+01  0.183309D+02  0.358884D+00
      4  -0.845821D+01  0.284806D+02 -0.265474D+02  0.108228D+02 -0.719800D+01
      5   0.850298D+01 -0.264890D+02  0.427246D+02 -0.816655D+01 -0.112975D+01
      6  -0.333410D+01  0.185555D+02 -0.258611D+02  0.799901D+01  0.334089D+01
               201           202           203           204           205 
      1  -0.160794D+02 -0.798571D+01 -0.970167D+01 -0.276094D+01 -0.178320D+02
      2   0.782413D+01  0.712864D+01  0.837008D+01  0.316102D+01  0.852267D+01
      3   0.825522D+01  0.857078D+00  0.133159D+01 -0.400082D+00  0.930934D+01
      4   0.359626D+01  0.614948D+00 -0.192195D+01 -0.323151D+00  0.537322D+01
      5  -0.663065D+01 -0.110837D+00 -0.156417D+01 -0.449843D+01 -0.302168D+01
      6   0.675864D+01  0.255639D+01  0.232266D+01  0.517245D+01  0.447368D+01
               206           207           208           209           210 
      1  -0.536728D+01 -0.137934D+02  0.554962D+02 -0.253003D+02 -0.209512D+02
      2   0.519028D+01  0.690019D+01 -0.197430D+02  0.281319D+01  0.905667D+01
      3   0.176998D+00  0.689323D+01 -0.357533D+02  0.224871D+02  0.118945D+02
      4  -0.457970D+01 -0.410394D+01 -0.488351D+02  0.390860D+02  0.184407D+02
      5  -0.748616D+01 -0.581641D+01 -0.277612D+02  0.138889D+02  0.198689D+02
      6   0.680483D+01  0.510677D+01  0.119047D+02 -0.734095D+01 -0.861690D+01
               211           212           213           214           215 
      1  -0.182416D+02  0.147860D+02  0.529166D+01 -0.264911D+02  0.105351D+02
      2   0.279355D+00  0.298519D+01  0.958020D+00  0.106521D+02  0.241914D+00
      3   0.179623D+02 -0.177712D+02 -0.624968D+01  0.158390D+02 -0.107770D+02
      4   0.333329D+02 -0.312065D+02 -0.131722D+02  0.265102D+02 -0.228936D+02
      5   0.111183D+02 -0.117193D+02 -0.111162D+02  0.247911D+02 -0.188801D+02
      6  -0.692064D+01  0.778945D+01  0.823101D+01 -0.108212D+02  0.112232D+02
               216           217           218           219           220 
      1   0.128358D+02 -0.440009D+02 -0.324619D+01 -0.208711D+02 -0.502780D+01
      2  -0.528495D+01  0.155359D+02  0.148007D+01  0.226334D+01  0.296294D+01
      3  -0.755081D+01  0.284649D+02  0.176612D+01  0.186078D+02  0.206485D+01
      4  -0.218204D+02 -0.768438D+01 -0.510719D+01  0.560315D+00 -0.392357D+00
      5  -0.203588D+02  0.210516D+01  0.283708D+01 -0.953428D+01  0.148117D+01
      6   0.959524D+01  0.812378D+00  0.341048D+01 -0.149970D+01  0.182932D+01
               221           222           223           224           225 
      1  -0.535651D+01 -0.166836D+01 -0.200911D+02  0.344514D+00 -0.186814D+02
      2   0.398067D+01 -0.137661D+01  0.462707D+01 -0.135939D+01 -0.123208D+01
      3   0.137584D+01  0.304496D+01  0.154640D+02  0.101487D+01  0.199135D+02
      4   0.500554D+01 -0.281111D+01 -0.122828D+01 -0.287226D+01 -0.291665D+01
      5  -0.203582D+01 -0.541136D+01 -0.241861D+00 -0.124977D+01 -0.122832D+02
      6  -0.787119D+00  0.302311D+01 -0.138653D+01  0.268312D+01 -0.981924D+00
               226           227           228           229           230 
      1   0.919851D+01  0.114169D+02 -0.600606D+01  0.148104D+02  0.241684D+01
      2  -0.291677D+01 -0.241733D+01  0.359528D+01 -0.242863D+01  0.221303D+02
      3  -0.628174D+01 -0.899952D+01  0.241078D+01 -0.123817D+02 -0.245472D+02
      4   0.144023D+02  0.177536D+02 -0.101931D+01  0.259682D+02  0.777309D+02
      5  -0.742336D+01 -0.224930D+01  0.613906D+01 -0.680362D+01 -0.998801D+01
      6  -0.214844D+01 -0.273365D+01  0.888995D+00 -0.549570D+01 -0.192789D+02
               231           232           233           234           235 
      1   0.813936D+00 -0.142424D+01  0.289133D+01 -0.390482D-01  0.676528D+02
      2   0.110814D+01  0.169812D+01  0.664025D+00  0.965187D+00 -0.458421D+02
      3  -0.192208D+01 -0.273883D+00 -0.355535D+01 -0.926138D+00 -0.218107D+02
      4  -0.806964D+01  0.147254D+01  0.446907D+01  0.621980D+01 -0.745867D+01
      5   0.110139D+02  0.493076D+01  0.593758D+01  0.399835D-01 -0.559873D+02
      6   0.751746D+01  0.949910D+00  0.580087D+01 -0.857633D+00  0.249384D+01
               236           237           238           239           240 
      1  -0.990103D+01 -0.360986D+02 -0.221802D+02  0.111116D+02  0.102962D+02
      2   0.711869D+01  0.285559D+02  0.153764D+02 -0.559401D+01 -0.102492D+02
      3   0.278234D+01  0.754266D+01  0.680374D+01 -0.551761D+01 -0.469862D-01
      4   0.137051D+02  0.326425D+01  0.151668D+02 -0.484977D+01 -0.842321D+01
      5   0.714801D+01  0.420102D+02  0.195134D+02 -0.106304D+02 -0.199949D+02
      6  -0.500189D+01 -0.104157D+01 -0.570209D+01  0.307683D+01  0.443567D+01
               241           242           243           244           245 
      1  -0.340082D+02  0.337428D+01  0.231072D+02  0.226721D+01 -0.719252D+01
      2   0.286976D+02 -0.433546D+01 -0.268770D+02 -0.534353D+00  0.352305D+01
      3   0.531060D+01  0.961183D+00  0.376982D+01 -0.173286D+01  0.366947D+01
      4   0.344189D+01 -0.585488D+01 -0.617287D+01 -0.117259D+02  0.932501D+01
      5   0.446991D+02 -0.851305D+01 -0.447273D+02  0.574329D+01 -0.498644D+01
      6  -0.157376D+01  0.386683D+01  0.182424D+01 -0.644236D+01  0.308152D+01
               246           247           248           249           250 
      1   0.106655D+01 -0.954642D+01 -0.457907D+01  0.396376D+01 -0.992543D-01
      2  -0.129521D+01  0.386094D+01  0.707821D+01 -0.901096D+00 -0.188172D+01
      3   0.228657D+00  0.568548D+01 -0.249915D+01 -0.306267D+01  0.198098D+01
      4  -0.450051D+01  0.134889D+02 -0.292385D+02  0.132526D+02 -0.569992D+01
      5   0.758892D+01 -0.670278D+01  0.135796D+02 -0.126452D+02  0.115506D+02
      6  -0.192409D+01  0.528620D+01 -0.161225D+02  0.102175D+02 -0.355498D+01
               251           252           253           254           255 
      1   0.200280D+01 -0.298523D+01 -0.316852D+02 -0.113583D+02 -0.455086D+02
      2   0.122437D+01 -0.350547D+01  0.362161D+02  0.108149D+02  0.137634D+02
      3  -0.322717D+01  0.649070D+01 -0.453093D+01  0.543387D+00  0.317452D+02
      4   0.137773D+02 -0.102783D+02 -0.175828D+02  0.281716D+01 -0.130762D+02
      5  -0.988758D+01  0.154515D+02 -0.556701D+02 -0.845922D+01 -0.153095D+02
      6   0.106115D+02 -0.831896D+01 -0.115776D+02  0.153826D+01  0.491175D+00
               256           257           258           259           260 
      1  -0.222167D+01  0.278060D+01 -0.145214D+02 -0.387664D+02 -0.129590D+02
      2   0.363193D+01 -0.202085D+02  0.939997D+01  0.105877D+02  0.144729D+02
      3  -0.141026D+01  0.174279D+02  0.512139D+01  0.281786D+02 -0.151387D+01
      4   0.114283D+02 -0.700253D+01  0.189614D+02 -0.651277D+01  0.175495D+02
      5   0.172172D+01  0.230783D+02  0.101477D+02 -0.394505D+01  0.355892D+01
      6   0.944044D+01  0.396558D+01  0.174249D+02  0.545110D+01  0.130611D+02
               261           262           263           264           265 
      1   0.111630D+02  0.343920D+02 -0.820096D+01 -0.216991D+02  0.386716D+01
      2   0.485206D+01 -0.225045D+02  0.462454D+01  0.157374D+02 -0.473803D+01
      3  -0.160151D+02 -0.118875D+02  0.357642D+01  0.596169D+01  0.870875D+00
      4   0.916521D+01 -0.154951D+02  0.101530D+02  0.998469D+01  0.512650D+01
      5   0.260314D+01 -0.312177D+02  0.852063D+01  0.272709D+02 -0.435739D+01
      6   0.344995D+01  0.574037D+01 -0.281255D+01 -0.499645D+01 -0.174349D+01
               266           267           268           269           270 
      1   0.188597D+01 -0.384446D+01 -0.269477D+02  0.619033D+01  0.197859D+02
      2  -0.729861D+00  0.458990D+01  0.217178D+02 -0.432565D+01 -0.219391D+02
      3  -0.115611D+01 -0.745441D+00  0.522986D+01 -0.186468D+01  0.215327D+01
      4  -0.488135D+01 -0.394953D+01  0.143881D+02 -0.123420D+02 -0.147302D+02
      5  -0.420212D+01  0.408962D+01  0.384971D+02 -0.126462D+02 -0.448669D+02
      6   0.186822D+01  0.258644D+01 -0.697743D+01  0.527061D+01  0.931281D+01
               271           272           273           274           275 
      1   0.978445D+00  0.771444D+01  0.349955D+01  0.765795D+01 -0.170812D+02
      2   0.145058D+01 -0.704873D+01  0.215227D+00 -0.471427D+01  0.352027D+02
      3  -0.242903D+01 -0.665710D+00 -0.371478D+01 -0.294368D+01 -0.181215D+02
      4   0.439419D+01  0.601923D+00  0.903392D+00  0.601734D+01  0.286748D+02
      5   0.253025D+01  0.305311D+01  0.151211D+01  0.513871D+01 -0.592573D+01
      6   0.195809D+01 -0.201260D+01 -0.110653D+01  0.549521D+00  0.143035D+02
               276           277           278           279           280 
      1   0.172287D+00 -0.125486D+01  0.464758D+01 -0.210868D+01  0.676192D+02
      2  -0.668738D+01  0.217050D+01 -0.105153D+02  0.489977D+01 -0.478068D+02
      3   0.651509D+01 -0.915645D+00  0.586769D+01 -0.279109D+01 -0.198124D+02
      4  -0.256892D+01 -0.154286D+01 -0.100844D+02  0.143139D+01  0.273093D+02
      5   0.728960D+01 -0.938739D+00  0.279864D+01 -0.821352D+01  0.645809D+02
      6   0.345890D+01 -0.115252D+01 -0.165816D+01 -0.272375D+01  0.120980D+02
               281           282           283           284           285 
      1   0.693244D+01  0.230277D+02  0.862138D+00  0.570560D+01  0.160613D+01
      2  -0.371562D+01 -0.229365D+02  0.149422D+01 -0.110812D+01 -0.138691D+00
      3  -0.321682D+01 -0.911702D-01 -0.235636D+01 -0.459748D+01 -0.146744D+01
      4   0.150852D+02  0.135152D+02  0.127132D+02  0.656716D+01  0.487186D+01
      5   0.120008D+02  0.394461D+02  0.313854D+01  0.646053D+01  0.113639D+01
      6   0.878918D+01  0.923781D+01  0.687191D+01  0.313015D+01  0.386019D+01
               286           287           288           289           290 
      1   0.169839D+02  0.228469D+01  0.858148D+01 -0.148908D+02  0.495513D+01
      2  -0.186272D+02 -0.298544D+01 -0.165855D+02 -0.222803D+01 -0.281056D+01
      3   0.164329D+01  0.700747D+00  0.800404D+01  0.171188D+02 -0.214457D+01
      4   0.992375D+01  0.450377D+01  0.661971D+01 -0.332727D+01 -0.264513D+01
      5   0.335579D+02  0.622058D+01  0.278224D+02  0.991353D+00 -0.106408D+01
      6   0.686394D+01  0.417937D+01  0.704624D+01  0.367692D+01 -0.572150D+01
               291           292           293           294           295 
      1   0.272210D+02 -0.123021D+01 -0.649914D+01  0.202275D+01  0.185631D+02
      2   0.190985D+01 -0.385172D+00  0.259128D+01  0.258671D+01 -0.113697D+01
      3  -0.291308D+02  0.161538D+01  0.390786D+01 -0.460946D+01 -0.174261D+02
      4   0.313401D+01 -0.129982D+01 -0.374819D+00  0.839751D+00  0.464164D+01
      5  -0.245080D+01 -0.102980D+01 -0.145094D+01 -0.361753D+01  0.434974D+01
      6  -0.727005D+01 -0.346800D+01  0.719738D+00  0.496483D+01 -0.294619D+01
               296           297 
      1  -0.353657D+01 -0.359196D+02
      2   0.152883D+00 -0.123102D+02
      3   0.338369D+01  0.482299D+02
      4   0.182570D+01 -0.263990D+01
      5   0.209968D+01  0.170175D+02
      6   0.657879D+01  0.116881D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 17:38:57 2021, MaxMem=  6442450944 cpu:          134632.8 elap:           16834.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52599 -19.47304 -10.58093 -10.46339 -10.45572
 Alpha  occ. eigenvalues --  -10.44901 -10.44431 -10.44224 -10.44192 -10.44143
 Alpha  occ. eigenvalues --  -10.44118 -10.43527 -10.43352 -10.42145 -10.42109
 Alpha  occ. eigenvalues --   -1.25914  -1.15920  -1.01675  -0.96823  -0.94056
 Alpha  occ. eigenvalues --   -0.88867  -0.88318  -0.82185  -0.81932  -0.80644
 Alpha  occ. eigenvalues --   -0.74333  -0.73479  -0.69924  -0.68225  -0.63575
 Alpha  occ. eigenvalues --   -0.62746  -0.61547  -0.59342  -0.58150  -0.57437
 Alpha  occ. eigenvalues --   -0.56702  -0.54802  -0.54145  -0.53665  -0.53418
 Alpha  occ. eigenvalues --   -0.52545  -0.50344  -0.49157  -0.48614  -0.47917
 Alpha  occ. eigenvalues --   -0.47771  -0.46837  -0.45088  -0.44563  -0.43887
 Alpha  occ. eigenvalues --   -0.43345  -0.42916  -0.41670  -0.39787  -0.35400
 Alpha  occ. eigenvalues --   -0.33565
 Alpha virt. eigenvalues --   -0.01416  -0.00858  -0.00490  -0.00327   0.00423
 Alpha virt. eigenvalues --    0.00591   0.01010   0.01609   0.01829   0.02367
 Alpha virt. eigenvalues --    0.02673   0.03030   0.03482   0.04022   0.04741
 Alpha virt. eigenvalues --    0.04995   0.05291   0.05688   0.05716   0.06002
 Alpha virt. eigenvalues --    0.06491   0.06929   0.07815   0.08361   0.08708
 Alpha virt. eigenvalues --    0.08867   0.09858   0.09944   0.10272   0.10571
 Alpha virt. eigenvalues --    0.10980   0.11351   0.11545   0.11840   0.12113
 Alpha virt. eigenvalues --    0.12500   0.12590   0.12723   0.13201   0.13632
 Alpha virt. eigenvalues --    0.13971   0.14103   0.14510   0.14667   0.14777
 Alpha virt. eigenvalues --    0.15641   0.15839   0.16178   0.16618   0.17286
 Alpha virt. eigenvalues --    0.17529   0.17590   0.17984   0.18360   0.18500
 Alpha virt. eigenvalues --    0.18836   0.19539   0.19945   0.20205   0.20556
 Alpha virt. eigenvalues --    0.21411   0.21608   0.22269   0.23011   0.23617
 Alpha virt. eigenvalues --    0.24021   0.24122   0.24343   0.24715   0.25122
 Alpha virt. eigenvalues --    0.25786   0.26455   0.26861   0.27338   0.27482
 Alpha virt. eigenvalues --    0.27960   0.28115   0.28286   0.28979   0.29188
 Alpha virt. eigenvalues --    0.29903   0.30499   0.30593   0.31166   0.31409
 Alpha virt. eigenvalues --    0.31720   0.32042   0.32471   0.32662   0.33312
 Alpha virt. eigenvalues --    0.33511   0.34043   0.34475   0.35149   0.35310
 Alpha virt. eigenvalues --    0.35575   0.35833   0.35997   0.36944   0.37399
 Alpha virt. eigenvalues --    0.38198   0.38886   0.39126   0.39681   0.39998
 Alpha virt. eigenvalues --    0.40579   0.40665   0.41161   0.41551   0.42158
 Alpha virt. eigenvalues --    0.42348   0.42896   0.43375   0.43688   0.43788
 Alpha virt. eigenvalues --    0.44231   0.44762   0.44782   0.44976   0.45461
 Alpha virt. eigenvalues --    0.45735   0.46345   0.46515   0.47151   0.47525
 Alpha virt. eigenvalues --    0.48096   0.48436   0.48882   0.49472   0.49721
 Alpha virt. eigenvalues --    0.50471   0.51208   0.51375   0.52014   0.52577
 Alpha virt. eigenvalues --    0.52710   0.52955   0.53690   0.54132   0.54544
 Alpha virt. eigenvalues --    0.55115   0.55339   0.55372   0.56313   0.56751
 Alpha virt. eigenvalues --    0.57348   0.57711   0.57890   0.58280   0.59025
 Alpha virt. eigenvalues --    0.59112   0.59342   0.60062   0.60591   0.60912
 Alpha virt. eigenvalues --    0.61372   0.61874   0.62368   0.62995   0.63073
 Alpha virt. eigenvalues --    0.63574   0.63760   0.64409   0.65044   0.65149
 Alpha virt. eigenvalues --    0.65633   0.65801   0.66022   0.66384   0.66873
 Alpha virt. eigenvalues --    0.67766   0.67858   0.68325   0.68556   0.69237
 Alpha virt. eigenvalues --    0.69526   0.69751   0.70287   0.71114   0.71402
 Alpha virt. eigenvalues --    0.71746   0.72361   0.72784   0.73039   0.73535
 Alpha virt. eigenvalues --    0.74202   0.74474   0.74919   0.75294   0.75707
 Alpha virt. eigenvalues --    0.76179   0.76337   0.76967   0.77262   0.78184
 Alpha virt. eigenvalues --    0.78784   0.79356   0.79417   0.80379   0.81011
 Alpha virt. eigenvalues --    0.81547   0.81594   0.81931   0.82837   0.83657
 Alpha virt. eigenvalues --    0.83716   0.84608   0.85403   0.85883   0.86164
 Alpha virt. eigenvalues --    0.86672   0.87012   0.88420   0.88447   0.89114
 Alpha virt. eigenvalues --    0.89573   0.89870   0.91077   0.91402   0.91990
 Alpha virt. eigenvalues --    0.92470   0.93584   0.93804   0.94557   0.95638
 Alpha virt. eigenvalues --    0.96470   0.96811   0.97822   0.98632   0.99692
 Alpha virt. eigenvalues --    1.00424   1.01467   1.02086   1.02562   1.03084
 Alpha virt. eigenvalues --    1.03769   1.05377   1.06136   1.07127   1.07961
 Alpha virt. eigenvalues --    1.08467   1.09076   1.09774   1.11500   1.11901
 Alpha virt. eigenvalues --    1.12490   1.13218   1.14230   1.14472   1.15358
 Alpha virt. eigenvalues --    1.16243   1.17365   1.17656   1.19981   1.20457
 Alpha virt. eigenvalues --    1.22077   1.22413   1.23339   1.24273   1.24675
 Alpha virt. eigenvalues --    1.25070   1.25502   1.25983   1.27399   1.28528
 Alpha virt. eigenvalues --    1.30774   1.32088   1.33088   1.36203   1.36995
 Alpha virt. eigenvalues --    1.37682   1.39439   1.39847   1.40943   1.43157
 Alpha virt. eigenvalues --    1.43539   1.44697   1.45078   1.46206   1.46679
 Alpha virt. eigenvalues --    1.47411   1.48293   1.49841   1.51540   1.52222
 Alpha virt. eigenvalues --    1.52799   1.53637   1.54692   1.55328   1.56198
 Alpha virt. eigenvalues --    1.56761   1.57490   1.59020   1.60010   1.61669
 Alpha virt. eigenvalues --    1.62304   1.62488   1.63640   1.64207   1.65116
 Alpha virt. eigenvalues --    1.65780   1.66747   1.67598   1.68334   1.69457
 Alpha virt. eigenvalues --    1.70372   1.71404   1.72938   1.73381   1.74112
 Alpha virt. eigenvalues --    1.75693   1.76406   1.76976   1.77362   1.77711
 Alpha virt. eigenvalues --    1.79121   1.79808   1.80646   1.81395   1.82047
 Alpha virt. eigenvalues --    1.82476   1.83240   1.84039   1.86587   1.87370
 Alpha virt. eigenvalues --    1.88063   1.88260   1.89516   1.89840   1.90556
 Alpha virt. eigenvalues --    1.91970   1.92411   1.93835   1.94191   1.95189
 Alpha virt. eigenvalues --    1.96364   1.97124   1.97548   1.98344   1.98529
 Alpha virt. eigenvalues --    1.98828   1.99659   2.00533   2.00911   2.02026
 Alpha virt. eigenvalues --    2.02523   2.02950   2.04070   2.05662   2.06992
 Alpha virt. eigenvalues --    2.07590   2.08550   2.09516   2.09963   2.11580
 Alpha virt. eigenvalues --    2.11650   2.13152   2.14197   2.14350   2.15106
 Alpha virt. eigenvalues --    2.16752   2.17527   2.18277   2.18627   2.20256
 Alpha virt. eigenvalues --    2.21491   2.21597   2.22308   2.22545   2.23299
 Alpha virt. eigenvalues --    2.24781   2.25139   2.26914   2.27406   2.27864
 Alpha virt. eigenvalues --    2.28913   2.31047   2.32672   2.33286   2.34737
 Alpha virt. eigenvalues --    2.35204   2.36234   2.36894   2.37596   2.37697
 Alpha virt. eigenvalues --    2.38202   2.38640   2.39235   2.40647   2.42116
 Alpha virt. eigenvalues --    2.43530   2.44796   2.49609   2.50527   2.51467
 Alpha virt. eigenvalues --    2.52721   2.53755   2.54950   2.56125   2.58142
 Alpha virt. eigenvalues --    2.58583   2.59054   2.60655   2.61339   2.63508
 Alpha virt. eigenvalues --    2.65675   2.67517   2.67735   2.69601   2.72399
 Alpha virt. eigenvalues --    2.72967   2.74813   2.75947   2.78041   2.79261
 Alpha virt. eigenvalues --    2.81866   2.83925   2.85477   2.87881   2.88163
 Alpha virt. eigenvalues --    2.91202   2.91925   2.94427   2.96844   2.99042
 Alpha virt. eigenvalues --    2.99845   3.08750   3.12661   3.13199   3.14749
 Alpha virt. eigenvalues --    3.20873   3.26782   3.27736   3.38652   3.43212
 Alpha virt. eigenvalues --    3.45274   3.50234   3.50960   3.52164   3.54653
 Alpha virt. eigenvalues --    3.57155   3.59795   3.66039   3.69729   3.72865
 Alpha virt. eigenvalues --    3.77751   3.86372   3.92643   4.06388   4.81669
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   38.910740 -10.894183  -7.034680  -2.070625   1.554335 -11.470415
     2  C  -10.894183  29.564635  -0.911545  -4.569736  -4.335459  -3.972990
     3  C   -7.034680  -0.911545  41.265811  -9.346386 -13.930116   0.687160
     4  C   -2.070625  -4.569736  -9.346386  33.275492  -4.762406  -4.563777
     5  C    1.554335  -4.335459 -13.930116  -4.762406  30.976721  -1.505394
     6  C  -11.470415  -3.972990   0.687160  -4.563777  -1.505394  28.721159
     7  C   -0.157292  -2.641085  -0.524971  -0.272376  -0.905276   0.123791
     8  C   -0.123392   0.230211   0.196629  -0.133106   0.386604   0.006870
     9  C    0.079741  -0.030182  -0.104014   0.096898  -0.063142  -0.300179
    10  C   -0.201201  -0.263954  -0.015758   0.033787  -0.202912   0.216573
    11  C   -0.041132   0.058619  -0.029879  -6.279860  -0.043960  -0.492308
    12  C   -0.008085   0.091779  -1.087715   1.238092  -0.172991  -0.232194
    13  O   -0.039194   0.004524   0.199536  -0.145210  -0.051688   0.003852
    14  O   -0.038873   0.012587   0.124403  -0.084932  -0.030098   0.013976
    15  H   -4.481401   3.067752   0.508706  -0.953395  -0.288497   1.178975
    16  H    0.965472  -0.844541  -4.760622   2.441992   1.062533  -0.345989
    17  H   -0.510983   0.173237   0.660916   1.312211  -3.010778   0.621380
    18  H    0.442171   1.067262  -0.383266   0.356327   0.708082  -2.922928
    19  H   -0.639094  -0.138222  -0.264548   0.004755   0.608432   0.493223
    20  H    0.872494  -0.256494   0.537240   0.161959  -0.404624  -0.548374
    21  H   -0.041546  -0.055234   0.001944   0.002551   0.028234   0.072503
    22  H    0.072448   0.070135   0.091509   0.022881  -0.006637   0.018336
    23  H    0.144836   0.121358  -0.145298   0.009552   0.051167  -0.142656
    24  H   -0.109169  -0.027828   0.028776  -0.016594  -0.005063   0.033271
    25  H   -0.156591   0.047018   0.051270   0.048162  -0.171567   0.204731
    26  H    0.037468   0.130027   0.011908   0.009935   0.063521   0.020290
    27  H    0.056295  -0.037562  -0.013956  -0.012433  -0.000444  -0.079370
    28  H   -0.083020   0.003277  -0.198880   0.787182   0.025244   0.021345
    29  C    0.007007  -0.038811  -0.653046  -0.675127   0.371320  -0.122821
    30  H    0.008113  -0.000779  -0.031651   0.038781  -0.003833  -0.003823
    31  H   -0.065707  -0.032138  -0.360523  -0.042362   0.211793   0.002464
    32  H    0.009905   0.040934   0.159920   0.878392  -0.251805  -0.018354
    33  H   -0.016476  -0.030638   0.123344  -0.705586   0.099629   0.018045
               7          8          9         10         11         12
     1  C   -0.157292  -0.123392   0.079741  -0.201201  -0.041132  -0.008085
     2  C   -2.641085   0.230211  -0.030182  -0.263954   0.058619   0.091779
     3  C   -0.524971   0.196629  -0.104014  -0.015758  -0.029879  -1.087715
     4  C   -0.272376  -0.133106   0.096898   0.033787  -6.279860   1.238092
     5  C   -0.905276   0.386604  -0.063142  -0.202912  -0.043960  -0.172991
     6  C    0.123791   0.006870  -0.300179   0.216573  -0.492308  -0.232194
     7  C   11.984136  -1.050299   0.121036   0.231270  -0.328122  -0.000339
     8  C   -1.050299   9.623885  -0.746216  -0.785552   0.034393  -0.006270
     9  C    0.121036  -0.746216   5.547516  -0.286039  -0.022324   0.004945
    10  C    0.231270  -0.785552  -0.286039   5.606740  -0.014066  -0.000327
    11  C   -0.328122   0.034393  -0.022324  -0.014066  17.271358  -3.276919
    12  C   -0.000339  -0.006270   0.004945  -0.000327  -3.276919   8.339516
    13  O   -0.001388   0.000098   0.000015  -0.000010  -0.022085   0.581238
    14  O    0.000594   0.000425  -0.000215  -0.000131   0.044435   0.128704
    15  H   -0.221865  -0.012120   0.019303   0.017030   0.003462   0.006222
    16  H    0.141501  -0.009935   0.014038  -0.000032   0.027955   0.084125
    17  H    0.150880  -0.022140  -0.000718   0.021540  -0.104838  -0.029184
    18  H   -0.411001   0.027304   0.032221  -0.057073   0.147965  -0.000640
    19  H   -0.505366   0.123062   0.002026   0.029545  -0.009089   0.000593
    20  H   -0.762286   0.094193   0.006596  -0.009008  -0.006315  -0.000428
    21  H    0.106657  -1.556745   0.217199   0.211725   0.002239  -0.000169
    22  H   -0.303997   0.464019  -0.332364   0.012066  -0.000411  -0.000177
    23  H   -0.191813  -0.183682   0.660175  -0.288145   0.016927  -0.000799
    24  H    0.133804  -0.011236   0.054115   0.168447  -0.002224   0.000586
    25  H   -0.153211  -0.205518  -0.289105   0.664617  -0.009273   0.001060
    26  H   -0.292470   0.444880   0.009136  -0.317701   0.002260   0.000774
    27  H    0.122874   0.007753   0.157546   0.058708  -0.000532  -0.000347
    28  H   -0.015155   0.002073  -0.000112  -0.001568  -1.868863   0.330357
    29  C   -0.056224  -0.005303  -0.001138   0.003109   0.382256   0.068754
    30  H   -0.000298  -0.000163   0.000059   0.000058   0.040079  -0.111342
    31  H   -0.006980  -0.001739  -0.000444   0.001226  -0.358945   0.079829
    32  H    0.002182  -0.000255  -0.000075  -0.000032  -0.428024   0.019876
    33  H   -0.012524   0.004085  -0.000148  -0.001395   0.654155  -0.100370
              13         14         15         16         17         18
     1  C   -0.039194  -0.038873  -4.481401   0.965472  -0.510983   0.442171
     2  C    0.004524   0.012587   3.067752  -0.844541   0.173237   1.067262
     3  C    0.199536   0.124403   0.508706  -4.760622   0.660916  -0.383266
     4  C   -0.145210  -0.084932  -0.953395   2.441992   1.312211   0.356327
     5  C   -0.051688  -0.030098  -0.288497   1.062533  -3.010778   0.708082
     6  C    0.003852   0.013976   1.178975  -0.345989   0.621380  -2.922928
     7  C   -0.001388   0.000594  -0.221865   0.141501   0.150880  -0.411001
     8  C    0.000098   0.000425  -0.012120  -0.009935  -0.022140   0.027304
     9  C    0.000015  -0.000215   0.019303   0.014038  -0.000718   0.032221
    10  C   -0.000010  -0.000131   0.017030  -0.000032   0.021540  -0.057073
    11  C   -0.022085   0.044435   0.003462   0.027955  -0.104838   0.147965
    12  C    0.581238   0.128704   0.006222   0.084125  -0.029184  -0.000640
    13  O    7.723607  -0.019344  -0.000909  -0.047257   0.002451   0.000165
    14  O   -0.019344   7.938729  -0.001398  -0.009679   0.008614   0.000725
    15  H   -0.000909  -0.001398   3.530802  -0.330297  -0.022662   0.013869
    16  H   -0.047257  -0.009679  -0.330297   3.638474   0.004177  -0.019311
    17  H    0.002451   0.008614  -0.022662   0.004177   2.905066  -0.279624
    18  H    0.000165   0.000725   0.013869  -0.019311  -0.279624   3.207398
    19  H   -0.000068  -0.000179   0.017007   0.000753   0.012624  -0.065040
    20  H   -0.000035   0.000108  -0.063893   0.001287  -0.004928   0.029735
    21  H   -0.000006   0.000023   0.013629  -0.000986  -0.002316   0.016812
    22  H    0.000023   0.000018  -0.004322  -0.003072   0.000898  -0.003598
    23  H    0.000065   0.000091  -0.030303  -0.000712  -0.000208   0.012047
    24  H   -0.000003  -0.000024   0.009163   0.001387  -0.000844   0.001738
    25  H   -0.000092   0.000045   0.016740  -0.002411  -0.000647  -0.034970
    26  H    0.000003  -0.000007  -0.008176   0.001930   0.002406  -0.020528
    27  H   -0.000003  -0.000012   0.001920  -0.000962   0.000954   0.009753
    28  H    0.006850  -0.047656   0.002723  -0.024481  -0.137994   0.001563
    29  C   -0.005639  -0.021483   0.009081   0.034051   0.021198   0.000821
    30  H   -0.032164   0.298119   0.000068   0.000206  -0.000200  -0.000353
    31  H    0.011789  -0.014709   0.003708  -0.074516   0.008760  -0.003138
    32  H   -0.003684   0.005813  -0.001509   0.019134   0.001391   0.000927
    33  H    0.020078   0.006596  -0.004172   0.013120  -0.006719   0.003612
              19         20         21         22         23         24
     1  C   -0.639094   0.872494  -0.041546   0.072448   0.144836  -0.109169
     2  C   -0.138222  -0.256494  -0.055234   0.070135   0.121358  -0.027828
     3  C   -0.264548   0.537240   0.001944   0.091509  -0.145298   0.028776
     4  C    0.004755   0.161959   0.002551   0.022881   0.009552  -0.016594
     5  C    0.608432  -0.404624   0.028234  -0.006637   0.051167  -0.005063
     6  C    0.493223  -0.548374   0.072503   0.018336  -0.142656   0.033271
     7  C   -0.505366  -0.762286   0.106657  -0.303997  -0.191813   0.133804
     8  C    0.123062   0.094193  -1.556745   0.464019  -0.183682  -0.011236
     9  C    0.002026   0.006596   0.217199  -0.332364   0.660175   0.054115
    10  C    0.029545  -0.009008   0.211725   0.012066  -0.288145   0.168447
    11  C   -0.009089  -0.006315   0.002239  -0.000411   0.016927  -0.002224
    12  C    0.000593  -0.000428  -0.000169  -0.000177  -0.000799   0.000586
    13  O   -0.000068  -0.000035  -0.000006   0.000023   0.000065  -0.000003
    14  O   -0.000179   0.000108   0.000023   0.000018   0.000091  -0.000024
    15  H    0.017007  -0.063893   0.013629  -0.004322  -0.030303   0.009163
    16  H    0.000753   0.001287  -0.000986  -0.003072  -0.000712   0.001387
    17  H    0.012624  -0.004928  -0.002316   0.000898  -0.000208  -0.000844
    18  H   -0.065040   0.029735   0.016812  -0.003598   0.012047   0.001738
    19  H    2.583253  -0.859444  -0.000752   0.028457   0.022101  -0.017616
    20  H   -0.859444   2.611524   0.004511  -0.036093  -0.028074   0.029754
    21  H   -0.000752   0.004511   2.507158  -0.095606   0.123310  -0.057290
    22  H    0.028457  -0.036093  -0.095606   2.146900  -0.362319  -0.577909
    23  H    0.022101  -0.028074   0.123310  -0.362319   2.082451  -0.601600
    24  H   -0.017616   0.029754  -0.057290  -0.577909  -0.601600   2.218763
    25  H   -0.026511   0.020857   0.128398   0.001490  -0.069458   0.013573
    26  H   -0.031764   0.027747  -0.097831  -0.017362   0.003526   0.037658
    27  H    0.029067  -0.017830  -0.059824   0.037482   0.011014  -0.068309
    28  H   -0.001115   0.000266   0.000239  -0.000088  -0.000456   0.000124
    29  C   -0.000160  -0.001914  -0.000446   0.001827  -0.004000  -0.000181
    30  H    0.000104  -0.000109  -0.000010  -0.000006  -0.000030   0.000006
    31  H    0.000253  -0.000236  -0.000192   0.000524  -0.002774  -0.000186
    32  H    0.000093   0.000123   0.000010   0.000112   0.000096   0.000004
    33  H   -0.000418  -0.000284  -0.000032   0.000138   0.000315  -0.000257
              25         26         27         28         29         30
     1  C   -0.156591   0.037468   0.056295  -0.083020   0.007007   0.008113
     2  C    0.047018   0.130027  -0.037562   0.003277  -0.038811  -0.000779
     3  C    0.051270   0.011908  -0.013956  -0.198880  -0.653046  -0.031651
     4  C    0.048162   0.009935  -0.012433   0.787182  -0.675127   0.038781
     5  C   -0.171567   0.063521  -0.000444   0.025244   0.371320  -0.003833
     6  C    0.204731   0.020290  -0.079370   0.021345  -0.122821  -0.003823
     7  C   -0.153211  -0.292470   0.122874  -0.015155  -0.056224  -0.000298
     8  C   -0.205518   0.444880   0.007753   0.002073  -0.005303  -0.000163
     9  C   -0.289105   0.009136   0.157546  -0.000112  -0.001138   0.000059
    10  C    0.664617  -0.317701   0.058708  -0.001568   0.003109   0.000058
    11  C   -0.009273   0.002260  -0.000532  -1.868863   0.382256   0.040079
    12  C    0.001060   0.000774  -0.000347   0.330357   0.068754  -0.111342
    13  O   -0.000092   0.000003  -0.000003   0.006850  -0.005639  -0.032164
    14  O    0.000045  -0.000007  -0.000012  -0.047656  -0.021483   0.298119
    15  H    0.016740  -0.008176   0.001920   0.002723   0.009081   0.000068
    16  H   -0.002411   0.001930  -0.000962  -0.024481   0.034051   0.000206
    17  H   -0.000647   0.002406   0.000954  -0.137994   0.021198  -0.000200
    18  H   -0.034970  -0.020528   0.009753   0.001563   0.000821  -0.000353
    19  H   -0.026511  -0.031764   0.029067  -0.001115  -0.000160   0.000104
    20  H    0.020857   0.027747  -0.017830   0.000266  -0.001914  -0.000109
    21  H    0.128398  -0.097831  -0.059824   0.000239  -0.000446  -0.000010
    22  H    0.001490  -0.017362   0.037482  -0.000088   0.001827  -0.000006
    23  H   -0.069458   0.003526   0.011014  -0.000456  -0.004000  -0.000030
    24  H    0.013573   0.037658  -0.068309   0.000124  -0.000181   0.000006
    25  H    2.111464  -0.368727  -0.607786   0.000732  -0.001240   0.000015
    26  H   -0.368727   2.155726  -0.579161  -0.000400   0.000762   0.000012
    27  H   -0.607786  -0.579161   2.213702   0.000016   0.000514   0.000000
    28  H    0.000732  -0.000400   0.000016   2.626128   0.029383   0.012222
    29  C   -0.001240   0.000762   0.000514   0.029383   5.247498   0.012811
    30  H    0.000015   0.000012   0.000000   0.012222   0.012811   0.575772
    31  H    0.000754  -0.000082   0.000119   0.087436   0.671462   0.004357
    32  H    0.000548   0.000062  -0.000008   0.007596  -0.348097   0.000275
    33  H   -0.004383   0.000398  -0.000031  -0.025642   0.113310  -0.000909
              31         32         33
     1  C   -0.065707   0.009905  -0.016476
     2  C   -0.032138   0.040934  -0.030638
     3  C   -0.360523   0.159920   0.123344
     4  C   -0.042362   0.878392  -0.705586
     5  C    0.211793  -0.251805   0.099629
     6  C    0.002464  -0.018354   0.018045
     7  C   -0.006980   0.002182  -0.012524
     8  C   -0.001739  -0.000255   0.004085
     9  C   -0.000444  -0.000075  -0.000148
    10  C    0.001226  -0.000032  -0.001395
    11  C   -0.358945  -0.428024   0.654155
    12  C    0.079829   0.019876  -0.100370
    13  O    0.011789  -0.003684   0.020078
    14  O   -0.014709   0.005813   0.006596
    15  H    0.003708  -0.001509  -0.004172
    16  H   -0.074516   0.019134   0.013120
    17  H    0.008760   0.001391  -0.006719
    18  H   -0.003138   0.000927   0.003612
    19  H    0.000253   0.000093  -0.000418
    20  H   -0.000236   0.000123  -0.000284
    21  H   -0.000192   0.000010  -0.000032
    22  H    0.000524   0.000112   0.000138
    23  H   -0.002774   0.000096   0.000315
    24  H   -0.000186   0.000004  -0.000257
    25  H    0.000754   0.000548  -0.004383
    26  H   -0.000082   0.000062   0.000398
    27  H    0.000119  -0.000008  -0.000031
    28  H    0.087436   0.007596  -0.025642
    29  C    0.671462  -0.348097   0.113310
    30  H    0.004357   0.000275  -0.000909
    31  H    1.817809  -0.373370  -0.358106
    32  H   -0.373370   1.886069  -0.396144
    33  H   -0.358106  -0.396144   1.759812
 Mulliken charges:
               1
     1  C    1.022035
     2  C    0.398024
     3  C    1.147784
     4  C   -0.085036
     5  C   -0.000923
     6  C    0.263626
     7  C    1.695613
     8  C   -0.792811
     9  C    1.153851
    10  C    1.168463
    11  C    0.653066
    12  C    0.051844
    13  O   -0.185514
    14  O   -0.315265
    15  H   -0.995243
    16  H   -0.977327
    17  H   -0.773923
    18  H   -0.879028
    19  H   -0.395961
    20  H   -0.398029
    21  H   -0.468158
    22  H   -0.225303
    23  H   -0.206706
    24  H   -0.234837
    25  H   -0.209983
    26  H   -0.226223
    27  H   -0.229144
    28  H   -0.539326
    29  C    0.960467
    30  H    0.194610
    31  H   -0.206135
    32  H   -0.212107
    33  H   -0.152400
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.026792
     2  C    0.398024
     3  C    0.170457
     4  C   -0.085036
     5  C   -0.774846
     6  C   -0.615402
     7  C    0.901624
     8  C   -1.260969
     9  C    0.487004
    10  C    0.503113
    11  C    0.113739
    12  C    0.051844
    13  O   -0.185514
    14  O   -0.120655
    29  C    0.389825
 Electronic spatial extent (au):  <R**2>=           4407.3578
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.2311    Y=             -1.2699    Z=              0.4937  Tot=              1.8363
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.8432   YY=            -92.8779   ZZ=            -89.0239
   XY=             -5.6426   XZ=              2.6585   YZ=              0.0020
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.4051   YY=             -2.6296   ZZ=              1.2244
   XY=             -5.6426   XZ=              2.6585   YZ=              0.0020
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             18.2012  YYY=             -5.0247  ZZZ=            -10.7677  XYY=             -4.3842
  XXY=            -33.1320  XXZ=             -9.0815  XZZ=             23.8995  YZZ=             -2.4176
  YYZ=              1.4266  XYZ=             11.8861
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4542.2118 YYYY=           -659.4785 ZZZZ=           -584.1108 XXXY=           -159.0205
 XXXZ=            -70.3253 YYYX=              8.0231 YYYZ=            -11.4458 ZZZX=            -36.9855
 ZZZY=              7.0535 XXYY=           -932.1139 XXZZ=           -803.9606 YYZZ=           -203.8237
 XXYZ=             66.3906 YYXZ=              2.1767 ZZXY=            -33.1398
 N-N= 9.813510194734D+02 E-N=-3.489090246019D+03  KE= 6.520925807078D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 17:38:59 2021, MaxMem=  6442450944 cpu:               5.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.50097753D-01-5.00508118D-01 1.46420811D-01
 Polarizability= 2.00170733D+02 5.59379819D+00 1.44712840D+02
                 7.08171403D+00-8.33210072D+00 1.30555475D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8438   -3.8379        3.0591    3.0612
 2      3.8438    3.8379        4.3569    4.3621      -28.8169  -28.8291
 3     -3.0591   -3.0612       36.2519   36.2562       -4.3609   -4.3621
 4     -4.3569   -4.3621        0.0000    0.0000       -3.0615   -3.0612
 5     -7.4350   -7.4271        3.0615    3.0612       -3.8434   -3.8379
 6      4.3609    4.3621        3.8434    3.8379        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       11.5137   11.5137        9.1836    9.1836
 2    -13.0863  -13.0863       -0.0000    0.0000        9.1836    9.1836
 3    -13.0863  -13.0863       11.5137   11.5137        0.0000    0.0000
 4     11.5137   11.5137       13.0863   13.0863      -86.4874  -86.4874
 5     -9.1836   -9.1836      108.7686  108.7686      -13.0863  -13.0863
 6    -22.2812  -22.2812        9.1836    9.1836      -11.5137  -11.5137
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1581    0.0000       15.0035   15.3517      -12.9072  -12.2448
 2    -15.2936  -15.3517      -16.9395  -17.4484      114.8935  115.3165
 3     12.5467   12.2448     -145.0587 -145.0248       17.3938   17.4484
 4     17.5693   17.4484        0.0918    0.0000       12.7184   12.2448
 5     29.3814   29.7082      -12.2559  -12.2448       15.0619   15.3517
 6    -17.7931  -17.4484      -15.6436  -15.3517       -0.0701    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1170    0.0000      -35.8829  -35.1129        5.2871    5.7789
 2     35.7618   35.1129        0.1097   -0.2256       -4.4804   -4.7712
 3     -5.1734   -5.7789      -48.0305  -47.6526        0.4642    0.2256
 4      0.7491    0.2256       -0.8287    0.0000       -6.5152   -5.7789
 5     52.9337   52.4238        2.6239    5.7789      -38.5429  -35.1129
 6     -0.1846   -0.2256       34.5079   35.1129       -1.0481    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -23.1809  -23.3555       -2.7801   -3.8718       -2.5105   -3.7589
 2    -10.9622  -11.8366      -20.6304  -20.2942       -3.2639   -3.7589
 3    -11.2119  -11.8366       -4.0978   -3.8718      -36.2557  -37.2547
 4     16.9287   16.4223      -10.7176  -11.5189      -35.0914  -34.5152
 5    -33.7760  -33.4958      -52.5000  -52.7476       11.9541   11.5189
 6     87.4975   87.2629       31.1132   33.4958      -17.0459  -16.4223
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.4258   -0.0005   -0.0002    0.0009    3.0505    6.3961
 Low frequencies ---   24.3732   38.9708   49.6399
 Diagonal vibrational polarizability:
       39.0913618      10.5427820      24.2879651
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.3636                38.9700                49.6342
 Red. masses --      4.0405                 7.6098                 3.6306
 Frc consts  --      0.0014                 0.0068                 0.0053
 IR Inten    --      0.1630                 1.5795                 0.2838
 RamAct Fr= 1--      0.3974                 1.0791                 2.0917
  Dep-P Fr= 1--      0.7443                 0.7498                 0.7388
  Dep-U Fr= 1--      0.8534                 0.8570                 0.8498
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0565                 0.1541                 0.2962
 AlphaG Fr= 1--     -0.0003                 0.0003                 0.0008
 Gamma2 Fr= 1--     -0.1567                -0.8870                 0.7273
 Delta2 Fr= 1--     -0.1172                -0.3024                -0.2705
 Raman1 Fr= 1--       1.590                  4.316                  8.367
 ROA1   Fr= 1--     -18.788                -94.829                 61.165
 CID1   Fr= 1--     -11.819                -21.970                  7.310
 Raman2 Fr= 1--       0.678                  1.850                  3.555
 ROA2   Fr= 1--      -2.822                -18.869                 19.620
 CID2   Fr= 1--      -4.161                -10.202                  5.519
 Raman3 Fr= 1--       1.357                  3.699                  7.110
 ROA3   Fr= 1--     -18.788                -94.829                 61.165
 CID3   Fr= 1--     -13.849                -25.636                  8.603
 RC180  Fr= 1--       0.707                  0.714                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10  -0.03    -0.02  -0.02  -0.06     0.03  -0.09  -0.17
     2   6    -0.01  -0.08   0.02    -0.03  -0.00  -0.05    -0.01  -0.02  -0.05
     3   6     0.01  -0.10  -0.05    -0.01  -0.04  -0.08     0.03  -0.09  -0.18
     4   6     0.00  -0.08  -0.02    -0.02  -0.05  -0.08    -0.01  -0.01  -0.06
     5   6    -0.01  -0.06   0.03    -0.03  -0.04  -0.09    -0.05   0.05   0.05
     6   6    -0.02  -0.05   0.05    -0.04  -0.02  -0.08    -0.05   0.04   0.06
     7   6    -0.02  -0.07   0.05    -0.05   0.05   0.00    -0.03   0.02  -0.00
     8   6     0.01   0.05   0.01     0.01   0.06   0.07     0.02   0.03   0.05
     9   6     0.04   0.06  -0.16     0.08   0.05   0.11     0.17  -0.00   0.18
    10   6     0.04   0.19   0.08     0.03   0.02   0.05    -0.06  -0.08  -0.02
    11   6     0.00  -0.07  -0.02    -0.04  -0.05  -0.03    -0.03   0.03  -0.01
    12   6    -0.00   0.08  -0.01     0.01   0.01   0.02     0.02   0.02   0.03
    13   8    -0.03   0.14   0.10    -0.28   0.04  -0.16     0.12   0.02   0.11
    14   8     0.03   0.14  -0.13     0.43   0.01   0.29    -0.04   0.03  -0.02
    15   1     0.01  -0.12  -0.06    -0.01  -0.00  -0.05     0.06  -0.14  -0.25
    16   1     0.02  -0.12  -0.08     0.00  -0.05  -0.08     0.06  -0.13  -0.26
    17   1    -0.01  -0.04   0.06    -0.04  -0.05  -0.09    -0.08   0.10   0.14
    18   1    -0.03  -0.03   0.10    -0.05  -0.01  -0.07    -0.08   0.09   0.15
    19   1    -0.06  -0.08   0.15    -0.10   0.06  -0.01    -0.07   0.03  -0.01
    20   1    -0.02  -0.16   0.01    -0.08   0.08   0.02    -0.05   0.04   0.01
    21   1    -0.00   0.01   0.05    -0.02   0.12   0.10     0.01   0.17   0.02
    22   1     0.02  -0.04  -0.21     0.06   0.08   0.13     0.23   0.08   0.23
    23   1     0.05   0.10  -0.20     0.11  -0.01   0.08     0.19  -0.15   0.21
    24   1     0.06   0.14  -0.19     0.12   0.06   0.15     0.21   0.02   0.22
    25   1     0.06   0.24   0.04     0.06  -0.03   0.02    -0.06  -0.22   0.01
    26   1     0.02   0.19   0.21    -0.01   0.03   0.02    -0.17  -0.06  -0.11
    27   1     0.07   0.27   0.06     0.07   0.04   0.09    -0.03  -0.06   0.01
    28   1     0.05  -0.11  -0.11    -0.04  -0.05  -0.03    -0.03   0.04   0.01
    29   6    -0.05  -0.15   0.08    -0.10  -0.05  -0.01    -0.11   0.05  -0.03
    30   1     0.03   0.24  -0.12     0.43   0.03   0.30     0.01   0.03   0.02
    31   1    -0.11  -0.12   0.17    -0.08  -0.05  -0.01    -0.12   0.03  -0.05
    32   1    -0.05  -0.13   0.08    -0.12  -0.05   0.06    -0.13   0.09   0.01
    33   1    -0.04  -0.26   0.08    -0.15  -0.07  -0.05    -0.14   0.04  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     56.3903                86.2246               102.5193
 Red. masses --      3.8167                 3.6635                 3.9609
 Frc consts  --      0.0072                 0.0160                 0.0245
 IR Inten    --      0.4883                 0.0549                 0.1244
 RamAct Fr= 1--      1.0728                 2.0902                 2.9645
  Dep-P Fr= 1--      0.6959                 0.6608                 0.6851
  Dep-U Fr= 1--      0.8207                 0.7958                 0.8131
 Alpha2 Fr= 1--      0.0010                 0.0033                 0.0034
 Beta2  Fr= 1--      0.1467                 0.2772                 0.4018
 AlphaG Fr= 1--      0.0012                -0.0015                 0.0014
 Gamma2 Fr= 1--     -0.1066                -0.8872                 0.8865
 Delta2 Fr= 1--      0.2343                -0.1604                 0.4729
 Raman1 Fr= 1--       4.291                  8.361                 11.858
 ROA1   Fr= 1--      -2.739                -90.305                100.240
 CID1   Fr= 1--      -0.638                -10.801                  8.453
 Raman2 Fr= 1--       1.761                  3.327                  4.821
 ROA2   Fr= 1--      -4.434                -20.011                 17.493
 CID2   Fr= 1--      -2.518                 -6.015                  3.628
 Raman3 Fr= 1--       3.522                  6.654                  9.642
 ROA3   Fr= 1--      -2.739                -90.305                100.240
 CID3   Fr= 1--      -0.778                -13.572                 10.396
 RC180  Fr= 1--       0.641                  0.592                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02    -0.02  -0.03   0.06     0.08  -0.01  -0.12
     2   6    -0.02  -0.03  -0.08     0.03  -0.09  -0.02     0.04   0.03  -0.09
     3   6    -0.05   0.03  -0.01    -0.05   0.01   0.11     0.05  -0.01  -0.04
     4   6    -0.03  -0.00  -0.06    -0.02  -0.01   0.07    -0.03   0.03   0.07
     5   6     0.01  -0.06  -0.15     0.04  -0.08  -0.03    -0.07   0.08   0.11
     6   6     0.02  -0.07  -0.17     0.05  -0.11  -0.07    -0.04   0.07   0.03
     7   6    -0.04  -0.01  -0.00     0.03  -0.06  -0.01     0.05   0.05  -0.09
     8   6     0.04  -0.01   0.09     0.09   0.06  -0.03     0.08  -0.04   0.01
     9   6    -0.02   0.01  -0.01     0.28   0.03   0.02     0.01  -0.03   0.01
    10   6     0.23   0.06   0.14    -0.03   0.04  -0.05     0.26  -0.05   0.01
    11   6    -0.06   0.04   0.01    -0.02   0.04   0.05    -0.03  -0.02   0.07
    12   6     0.01  -0.01   0.06    -0.09   0.02  -0.01    -0.11  -0.01   0.01
    13   8     0.13  -0.04   0.11    -0.14   0.02  -0.06    -0.19  -0.00  -0.05
    14   8    -0.07  -0.03   0.06    -0.13   0.01  -0.01    -0.12  -0.01  -0.01
    15   1    -0.07   0.04   0.03    -0.04  -0.01   0.10     0.14  -0.05  -0.19
    16   1    -0.08   0.07   0.05    -0.08   0.06   0.18     0.10  -0.06  -0.07
    17   1     0.04  -0.08  -0.20     0.07  -0.10  -0.08    -0.13   0.11   0.19
    18   1     0.05  -0.10  -0.22     0.09  -0.16  -0.14    -0.08   0.11   0.05
    19   1    -0.06  -0.00   0.01    -0.04  -0.05   0.06     0.05   0.06  -0.17
    20   1    -0.11   0.01   0.01     0.04  -0.11  -0.04     0.02   0.14  -0.05
    21   1    -0.01  -0.08   0.21     0.08   0.20  -0.05     0.05  -0.10   0.10
    22   1    -0.16  -0.04  -0.04     0.43   0.06   0.03    -0.16  -0.02   0.01
    23   1     0.03   0.08  -0.13     0.27  -0.11   0.10     0.06   0.02  -0.12
    24   1     0.03   0.00   0.06     0.29   0.13  -0.03     0.06  -0.09   0.12
    25   1     0.29   0.15   0.02    -0.00  -0.13  -0.05     0.28   0.07  -0.04
    26   1     0.29   0.05   0.22    -0.21   0.07  -0.08     0.39  -0.08   0.02
    27   1     0.28   0.05   0.20     0.04   0.15  -0.03     0.25  -0.16   0.06
    28   1    -0.08   0.07   0.07     0.02   0.07   0.08    -0.03  -0.04   0.03
    29   6    -0.13   0.09  -0.03    -0.01   0.09  -0.00     0.04  -0.05   0.09
    30   1    -0.01  -0.07   0.09    -0.19  -0.00  -0.06    -0.20  -0.00  -0.07
    31   1    -0.10   0.07  -0.09    -0.05   0.06  -0.03     0.03  -0.03   0.13
    32   1    -0.15   0.11   0.02     0.00   0.13  -0.04     0.05  -0.08   0.05
    33   1    -0.18   0.12  -0.07     0.02   0.11   0.03     0.07  -0.06   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    173.0545               210.6918               224.3845
 Red. masses --      3.2369                 2.9850                 1.1698
 Frc consts  --      0.0571                 0.0781                 0.0347
 IR Inten    --      0.1072                 0.3234                 0.2397
 RamAct Fr= 1--      0.4885                 0.2455                 0.2490
  Dep-P Fr= 1--      0.6992                 0.5404                 0.2855
  Dep-U Fr= 1--      0.8230                 0.7017                 0.4442
 Alpha2 Fr= 1--      0.0004                 0.0010                 0.0027
 Beta2  Fr= 1--      0.0670                 0.0287                 0.0184
 AlphaG Fr= 1--     -0.0027                -0.0038                 0.0001
 Gamma2 Fr= 1--      0.6965                 0.0703                 0.3257
 Delta2 Fr= 1--      0.3558                 0.1414                 0.1729
 Raman1 Fr= 1--       1.954                  0.982                  0.996
 ROA1   Fr= 1--      78.249                 11.279                 36.800
 CID1   Fr= 1--      40.044                 11.487                 36.955
 Raman2 Fr= 1--       0.804                  0.344                  0.221
 ROA2   Fr= 1--      13.870                  0.557                  6.433
 CID2   Fr= 1--      17.249                  1.616                 29.088
 Raman3 Fr= 1--       1.608                  0.689                  0.442
 ROA3   Fr= 1--      78.249                 11.279                 36.800
 CID3   Fr= 1--      48.656                 16.370                 83.201
 RC180  Fr= 1--       0.646                  0.403                 -0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04  -0.05     0.07  -0.00  -0.09    -0.02   0.01   0.04
     2   6    -0.05  -0.01  -0.05     0.06   0.02  -0.01    -0.01   0.00   0.02
     3   6    -0.11   0.13  -0.02     0.09   0.01  -0.11    -0.01   0.00   0.03
     4   6    -0.06   0.15  -0.02     0.07   0.04  -0.06    -0.01  -0.01   0.00
     5   6    -0.03   0.13  -0.01     0.11   0.01  -0.10    -0.02   0.00   0.03
     6   6    -0.01   0.04  -0.02     0.10   0.00  -0.07    -0.02   0.01   0.04
     7   6    -0.06  -0.12  -0.00     0.03  -0.02   0.08     0.01  -0.00  -0.01
     8   6     0.00  -0.05   0.01    -0.02  -0.01   0.04     0.01  -0.00  -0.01
     9   6     0.13  -0.06  -0.04    -0.07  -0.00   0.01     0.03  -0.01  -0.01
    10   6     0.00  -0.01   0.04    -0.12   0.03   0.06     0.03  -0.01  -0.02
    11   6    -0.04   0.02  -0.04     0.02   0.03   0.05    -0.01  -0.02  -0.01
    12   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.00  -0.01  -0.01
    13   8     0.07  -0.02   0.01    -0.06  -0.01  -0.06    -0.00   0.00   0.01
    14   8     0.03  -0.02   0.04    -0.11  -0.02   0.05     0.02   0.01  -0.03
    15   1    -0.14   0.01  -0.06     0.06  -0.02  -0.10    -0.02   0.02   0.05
    16   1    -0.16   0.16  -0.03     0.09  -0.00  -0.14    -0.01   0.01   0.03
    17   1     0.00   0.15   0.00     0.13   0.01  -0.12    -0.02   0.00   0.03
    18   1     0.03   0.02  -0.00     0.11  -0.01  -0.07    -0.03   0.02   0.04
    19   1    -0.03  -0.15   0.12     0.06  -0.03   0.14     0.01   0.00  -0.02
    20   1    -0.13  -0.22  -0.04    -0.03  -0.07   0.06     0.03   0.01  -0.01
    21   1    -0.03   0.00   0.05     0.02  -0.04  -0.01     0.01   0.00  -0.00
    22   1     0.21  -0.10  -0.05     0.04  -0.04  -0.00     0.02  -0.00  -0.01
    23   1     0.13  -0.13  -0.01    -0.14   0.04   0.12     0.04  -0.02  -0.03
    24   1     0.15   0.03  -0.08    -0.16   0.00  -0.11     0.04   0.00   0.00
    25   1     0.06  -0.11  -0.03    -0.14  -0.01   0.11     0.03   0.01  -0.02
    26   1    -0.14   0.01   0.08    -0.19   0.04   0.09     0.06  -0.02  -0.02
    27   1     0.10   0.12   0.08    -0.13   0.10   0.01     0.03  -0.04  -0.01
    28   1    -0.13  -0.05  -0.13    -0.02   0.00   0.01    -0.01  -0.01   0.00
    29   6     0.15  -0.13   0.10    -0.04  -0.04   0.14    -0.03   0.01  -0.04
    30   1     0.09  -0.05   0.08    -0.21  -0.08  -0.04     0.02   0.04  -0.03
    31   1     0.30  -0.03   0.23     0.29   0.02   0.13     0.50   0.02  -0.21
    32   1     0.16  -0.35   0.09    -0.15  -0.26   0.44    -0.19  -0.30   0.39
    33   1     0.15  -0.12   0.10    -0.29   0.05  -0.07    -0.42   0.31  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    239.9932               247.0869               267.3892
 Red. masses --      2.3220                 1.2055                 1.0597
 Frc consts  --      0.0788                 0.0434                 0.0446
 IR Inten    --      0.4739                 0.3846                 0.2657
 RamAct Fr= 1--      1.9587                 0.3991                 0.6696
  Dep-P Fr= 1--      0.2799                 0.4615                 0.2124
  Dep-U Fr= 1--      0.4374                 0.6316                 0.3503
 Alpha2 Fr= 1--      0.0213                 0.0023                 0.0088
 Beta2  Fr= 1--      0.1428                 0.0420                 0.0391
 AlphaG Fr= 1--      0.0199                -0.0142                -0.0017
 Gamma2 Fr= 1--     -1.2311                 0.0765                -0.0094
 Delta2 Fr= 1--     -0.3770                 0.1577                -0.0118
 Raman1 Fr= 1--       7.835                  1.596                  2.678
 ROA1   Fr= 1--    -130.249                 12.389                 -1.277
 CID1   Fr= 1--     -16.625                  7.760                 -0.477
 Raman2 Fr= 1--       1.713                  0.504                  0.469
 ROA2   Fr= 1--     -26.530                  0.574                 -0.131
 CID2   Fr= 1--     -15.484                  1.138                 -0.279
 Raman3 Fr= 1--       3.427                  1.008                  0.938
 ROA3   Fr= 1--    -130.249                 12.389                 -1.277
 CID3   Fr= 1--     -38.011                 12.287                 -1.361
 RC180  Fr= 1--      -0.125                  0.263                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.07    -0.02   0.01   0.02    -0.00  -0.00  -0.01
     2   6    -0.02  -0.07  -0.06     0.00  -0.00   0.02     0.00  -0.01  -0.02
     3   6    -0.01  -0.05  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.01   0.00   0.05     0.01   0.01  -0.02    -0.01   0.00   0.00
     5   6    -0.01  -0.04  -0.02     0.02   0.01  -0.01    -0.01   0.00  -0.00
     6   6     0.01  -0.07  -0.07     0.01   0.00   0.02    -0.01  -0.00  -0.01
     7   6    -0.05   0.02  -0.01     0.01  -0.01   0.01     0.00  -0.01  -0.00
     8   6    -0.03   0.04   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     9   6    -0.05   0.04   0.04     0.05  -0.00  -0.01     0.01  -0.01   0.02
    10   6    -0.06   0.03   0.00    -0.03   0.00  -0.01     0.01   0.02   0.01
    11   6     0.01   0.02   0.05    -0.00   0.01  -0.02    -0.01  -0.01  -0.00
    12   6    -0.01   0.01   0.03     0.01   0.01  -0.01    -0.01  -0.01   0.00
    13   8    -0.02   0.03   0.07     0.02  -0.01  -0.04    -0.01   0.00   0.02
    14   8     0.01   0.03   0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
    15   1     0.02  -0.11  -0.10    -0.03   0.00   0.02    -0.01  -0.00  -0.01
    16   1    -0.03  -0.04  -0.02    -0.02   0.03   0.00    -0.01   0.00   0.00
    17   1    -0.01  -0.04  -0.02     0.04   0.01  -0.02    -0.01   0.00   0.00
    18   1     0.03  -0.09  -0.08     0.02   0.00   0.03    -0.01  -0.00  -0.01
    19   1    -0.11   0.04  -0.04     0.01  -0.01   0.02    -0.00  -0.01   0.00
    20   1    -0.04   0.05   0.00     0.02  -0.03   0.00    -0.01  -0.01  -0.00
    21   1    -0.03   0.05   0.00     0.01   0.02  -0.02     0.02  -0.01  -0.01
    22   1    -0.36   0.10   0.07    -0.29   0.04   0.01     0.42  -0.03   0.01
    23   1     0.08   0.06  -0.21     0.23  -0.03  -0.32    -0.17  -0.04   0.39
    24   1     0.10  -0.04   0.30     0.26  -0.03   0.30    -0.20   0.05  -0.31
    25   1    -0.12   0.14   0.09    -0.19   0.33   0.19    -0.13   0.37   0.17
    26   1     0.09   0.00  -0.02     0.37  -0.06  -0.03     0.41  -0.05   0.03
    27   1    -0.17  -0.08  -0.07    -0.30  -0.27  -0.19    -0.25  -0.24  -0.15
    28   1    -0.00   0.02   0.06    -0.00   0.00  -0.04    -0.02  -0.01   0.00
    29   6     0.22   0.06  -0.03    -0.06  -0.03   0.04     0.02   0.00  -0.02
    30   1     0.02   0.06   0.02    -0.02  -0.04   0.01     0.02   0.02   0.01
    31   1     0.45   0.06  -0.11    -0.11  -0.01   0.09     0.03  -0.00  -0.03
    32   1     0.23  -0.15  -0.04    -0.07   0.00   0.05     0.03  -0.01  -0.04
    33   1     0.20   0.29  -0.01    -0.06  -0.11   0.02     0.04   0.03  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    280.3685               339.0597               356.4922
 Red. masses --      3.4970                 3.9325                 3.0102
 Frc consts  --      0.1620                 0.2664                 0.2254
 IR Inten    --      0.9761                 1.2175                 0.5534
 RamAct Fr= 1--      0.3075                 1.8889                 2.5814
  Dep-P Fr= 1--      0.2239                 0.3568                 0.6486
  Dep-U Fr= 1--      0.3659                 0.5260                 0.7868
 Alpha2 Fr= 1--      0.0039                 0.0162                 0.0047
 Beta2  Fr= 1--      0.0188                 0.1656                 0.3385
 AlphaG Fr= 1--     -0.0020                 0.0176                -0.0006
 Gamma2 Fr= 1--     -0.6046                 0.3118                 0.4657
 Delta2 Fr= 1--     -0.2786                -0.5386                 0.2570
 Raman1 Fr= 1--       1.230                  7.556                 10.326
 ROA1   Fr= 1--     -66.958                 12.699                 52.929
 CID1   Fr= 1--     -54.430                  1.681                  5.126
 Raman2 Fr= 1--       0.225                  1.987                  4.062
 ROA2   Fr= 1--     -12.281                 11.792                  9.120
 CID2   Fr= 1--     -54.567                  5.935                  2.245
 Raman3 Fr= 1--       0.450                  3.974                  8.125
 ROA3   Fr= 1--     -66.958                 12.699                 52.929
 CID3   Fr= 1--    -148.750                  3.195                  6.515
 RC180  Fr= 1--      -0.268                  0.052                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.02    -0.08   0.00   0.04     0.01  -0.02  -0.05
     2   6     0.03   0.13  -0.04    -0.01  -0.02   0.15     0.08  -0.09  -0.10
     3   6     0.07   0.04   0.01    -0.02   0.05  -0.14    -0.04   0.10   0.06
     4   6     0.01  -0.02  -0.01     0.03   0.07  -0.14    -0.02   0.09   0.04
     5   6    -0.03   0.02  -0.04     0.12   0.05  -0.08     0.01   0.08   0.08
     6   6    -0.02   0.10  -0.06     0.07  -0.01   0.10     0.07  -0.03  -0.02
     7   6     0.02  -0.04   0.04     0.03  -0.04   0.09     0.07  -0.08  -0.04
     8   6    -0.00  -0.10   0.05     0.02   0.08  -0.04     0.07   0.00  -0.06
     9   6     0.10  -0.11  -0.07    -0.02   0.10  -0.00    -0.09   0.00   0.15
    10   6    -0.11   0.00   0.11     0.09  -0.07  -0.12    -0.03   0.13  -0.01
    11   6    -0.01  -0.09   0.04    -0.04  -0.04  -0.00    -0.02  -0.04  -0.01
    12   6    -0.03  -0.08   0.05    -0.04  -0.08   0.07    -0.00  -0.07  -0.01
    13   8    -0.12  -0.01   0.14    -0.15  -0.01   0.16    -0.03  -0.04   0.04
    14   8     0.04  -0.01  -0.07    -0.01  -0.04  -0.01     0.07  -0.03  -0.09
    15   1     0.12   0.16  -0.01    -0.19  -0.05   0.05    -0.03  -0.05  -0.06
    16   1     0.13   0.01   0.04    -0.06   0.06  -0.23    -0.07   0.14   0.11
    17   1    -0.08  -0.02  -0.05     0.23   0.09  -0.10     0.03   0.14   0.14
    18   1    -0.07   0.13  -0.10     0.13  -0.03   0.16     0.09  -0.04  -0.01
    19   1     0.16  -0.08   0.09    -0.01  -0.06   0.26     0.02  -0.09   0.08
    20   1    -0.12  -0.09   0.02     0.12  -0.22  -0.00     0.04  -0.18  -0.09
    21   1     0.00  -0.10   0.04     0.03   0.09  -0.05     0.09  -0.02  -0.10
    22   1    -0.04  -0.19  -0.12    -0.07   0.12   0.01    -0.22   0.23   0.27
    23   1     0.21  -0.14  -0.27    -0.03   0.14  -0.01    -0.11   0.04   0.17
    24   1     0.24   0.00   0.04    -0.04   0.04   0.02    -0.14  -0.27   0.28
    25   1    -0.16   0.04   0.20     0.13  -0.12  -0.17    -0.04   0.13   0.01
    26   1    -0.12  -0.00   0.20     0.15  -0.06  -0.30    -0.12   0.13   0.15
    27   1    -0.16   0.08  -0.01     0.11  -0.23   0.00    -0.01   0.30  -0.09
    28   1    -0.06  -0.06   0.11    -0.19  -0.06   0.04    -0.08  -0.04   0.01
    29   6     0.00   0.04  -0.12     0.03  -0.01  -0.07    -0.09  -0.02  -0.03
    30   1     0.01   0.11  -0.06    -0.04   0.03  -0.02     0.09   0.08  -0.05
    31   1    -0.07  -0.05  -0.26    -0.03  -0.04  -0.10    -0.15  -0.05  -0.05
    32   1     0.04   0.16  -0.21     0.08   0.02  -0.18    -0.12   0.08   0.03
    33   1     0.07   0.14  -0.05     0.12   0.02   0.02    -0.13  -0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    390.1550               406.2980               422.1183
 Red. masses --      2.5679                 1.9758                 3.4831
 Frc consts  --      0.2303                 0.1922                 0.3657
 IR Inten    --      1.6590                 0.1776                 2.8790
 RamAct Fr= 1--      1.0503                 0.8841                 2.7806
  Dep-P Fr= 1--      0.4741                 0.1022                 0.1408
  Dep-U Fr= 1--      0.6432                 0.1854                 0.2468
 Alpha2 Fr= 1--      0.0058                 0.0154                 0.0440
 Beta2  Fr= 1--      0.1126                 0.0273                 0.1144
 AlphaG Fr= 1--      0.0027                 0.0281                -0.0678
 Gamma2 Fr= 1--      0.0801                 0.3193                -0.9220
 Delta2 Fr= 1--     -0.0003                 0.1156                -0.0002
 Raman1 Fr= 1--       4.201                  3.537                 11.122
 ROA1   Fr= 1--       7.683                 34.357                -88.522
 CID1   Fr= 1--       1.829                  9.715                 -7.959
 Raman2 Fr= 1--       1.351                  0.328                  1.373
 ROA2   Fr= 1--       1.926                  6.739                -22.128
 CID2   Fr= 1--       1.426                 20.559                -16.121
 Raman3 Fr= 1--       2.702                  0.656                  2.745
 ROA3   Fr= 1--       7.683                 34.357                -88.522
 CID3   Fr= 1--       2.843                 52.407                -32.245
 RC180  Fr= 1--       0.286                 -0.629                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.06    -0.01  -0.07  -0.02    -0.01   0.10   0.09
     2   6    -0.03   0.04   0.07     0.03  -0.07   0.04     0.09   0.02  -0.00
     3   6     0.02  -0.04  -0.06    -0.04   0.07   0.01     0.04  -0.05  -0.09
     4   6     0.03  -0.05  -0.08    -0.03   0.05  -0.04    -0.08  -0.05  -0.02
     5   6     0.02  -0.04  -0.06     0.05   0.00  -0.03    -0.08   0.00   0.13
     6   6    -0.03   0.03   0.06     0.02  -0.05   0.08     0.03  -0.08  -0.09
     7   6     0.02  -0.01  -0.08     0.07   0.14  -0.05     0.13  -0.02   0.04
     8   6    -0.05  -0.08  -0.13     0.05  -0.04   0.04     0.14   0.00   0.03
     9   6     0.01  -0.13   0.10     0.02  -0.03  -0.04    -0.02   0.04   0.00
    10   6     0.03   0.15  -0.02    -0.05   0.00   0.07    -0.03  -0.02   0.02
    11   6     0.00   0.00  -0.01    -0.05   0.00  -0.04    -0.11  -0.01  -0.11
    12   6    -0.01   0.04   0.02    -0.03  -0.01  -0.01    -0.09   0.08  -0.05
    13   8    -0.01   0.03   0.01    -0.02   0.00   0.04     0.04   0.06   0.02
    14   8    -0.06   0.01   0.07    -0.01  -0.01   0.01    -0.08   0.03   0.13
    15   1    -0.04   0.05   0.10    -0.07  -0.14  -0.07    -0.08   0.16   0.20
    16   1     0.03  -0.06  -0.09    -0.09   0.11   0.03     0.15  -0.14  -0.14
    17   1     0.02  -0.05  -0.08     0.14   0.03  -0.06    -0.10   0.08   0.25
    18   1    -0.04   0.04   0.08     0.03  -0.04   0.14    -0.00  -0.10  -0.25
    19   1     0.09  -0.02  -0.16    -0.00   0.22  -0.51     0.14  -0.04   0.15
    20   1     0.11   0.03  -0.06     0.19   0.55   0.14     0.07  -0.11   0.01
    21   1    -0.05  -0.07  -0.12     0.06  -0.07   0.02     0.17  -0.03  -0.03
    22   1     0.03   0.13   0.24     0.02  -0.13  -0.09    -0.14   0.01  -0.01
    23   1     0.04  -0.34   0.15     0.01   0.03  -0.06    -0.05   0.22  -0.02
    24   1     0.07  -0.23   0.25     0.01   0.02  -0.10    -0.09  -0.08   0.00
    25   1     0.09   0.30  -0.16    -0.08  -0.05   0.14    -0.09  -0.12   0.15
    26   1     0.00   0.13   0.30    -0.14   0.01   0.12    -0.11   0.00  -0.04
    27   1     0.12   0.35  -0.05    -0.06   0.11  -0.02    -0.08   0.03  -0.09
    28   1     0.01   0.00  -0.02    -0.08  -0.01  -0.05    -0.03  -0.03  -0.19
    29   6     0.05  -0.01  -0.02    -0.01  -0.03  -0.03     0.02  -0.08  -0.11
    30   1    -0.07  -0.07   0.04     0.05  -0.02   0.05     0.15  -0.14   0.25
    31   1     0.08   0.01  -0.01     0.00  -0.01  -0.01     0.11  -0.05  -0.08
    32   1     0.08  -0.06  -0.07     0.00  -0.06  -0.06     0.06  -0.21  -0.18
    33   1     0.10   0.03   0.02     0.01  -0.03  -0.02     0.07  -0.02  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --    422.8734               502.4175               518.1681
 Red. masses --      2.9226                 3.3780                 3.0615
 Frc consts  --      0.3079                 0.5024                 0.4843
 IR Inten    --      1.0085                 1.6552                19.6331
 RamAct Fr= 1--      0.7121                 0.4981                 0.5363
  Dep-P Fr= 1--      0.1632                 0.2901                 0.1150
  Dep-U Fr= 1--      0.2807                 0.4497                 0.2063
 Alpha2 Fr= 1--      0.0106                 0.0053                 0.0090
 Beta2  Fr= 1--      0.0333                 0.0373                 0.0184
 AlphaG Fr= 1--      0.0397                -0.0071                -0.0086
 Gamma2 Fr= 1--      0.8296                 0.0198                -0.0567
 Delta2 Fr= 1--      0.1004                 0.0257                -0.0138
 Raman1 Fr= 1--       2.848                  1.992                  2.145
 ROA1   Fr= 1--      82.857                  2.723                 -5.885
 CID1   Fr= 1--      29.088                  1.367                 -2.743
 Raman2 Fr= 1--       0.400                  0.448                  0.221
 ROA2   Fr= 1--      19.108                  0.270                 -1.250
 CID2   Fr= 1--      47.800                  0.602                 -5.648
 Raman3 Fr= 1--       0.800                  0.896                  0.443
 ROA3   Fr= 1--      82.857                  2.723                 -5.885
 CID3   Fr= 1--     103.635                  3.039                -13.294
 RC180  Fr= 1--      -0.439                 -0.101                 -0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.15     0.02   0.01  -0.06    -0.09   0.05   0.05
     2   6    -0.04  -0.04   0.01     0.01   0.11   0.17    -0.01  -0.01  -0.04
     3   6     0.04  -0.07  -0.15     0.00  -0.02  -0.06    -0.05  -0.04  -0.06
     4   6     0.04   0.05  -0.00    -0.15   0.06   0.12     0.00  -0.08  -0.12
     5   6    -0.02   0.12   0.13    -0.02  -0.09  -0.03    -0.06  -0.05  -0.07
     6   6     0.07  -0.10  -0.13    -0.01  -0.05  -0.03    -0.11   0.04   0.06
     7   6    -0.05   0.06  -0.05     0.09   0.03   0.09     0.07  -0.05  -0.07
     8   6    -0.06  -0.02   0.00    -0.00  -0.02  -0.04     0.21  -0.01   0.02
     9   6     0.03  -0.03  -0.02     0.01  -0.04   0.00    -0.01   0.04   0.01
    10   6    -0.01   0.01   0.02     0.02   0.02  -0.03    -0.02  -0.01   0.03
    11   6     0.05   0.01   0.05    -0.14   0.08   0.02    -0.00   0.06   0.07
    12   6     0.04  -0.05   0.03    -0.09  -0.04  -0.05     0.05  -0.03   0.06
    13   8    -0.03  -0.04   0.00     0.04  -0.09  -0.03    -0.00  -0.05  -0.03
    14   8     0.04  -0.02  -0.07     0.08   0.02  -0.11     0.05   0.01  -0.06
    15   1    -0.16   0.12   0.30     0.05  -0.12  -0.24    -0.15   0.11   0.17
    16   1     0.05  -0.13  -0.34     0.14  -0.17  -0.21    -0.07  -0.00   0.02
    17   1    -0.07   0.22   0.29     0.08  -0.18  -0.22    -0.11  -0.03  -0.00
    18   1     0.19  -0.22  -0.26    -0.01  -0.12  -0.26    -0.19   0.12   0.16
    19   1    -0.08   0.10  -0.27     0.18   0.01   0.10     0.04  -0.04  -0.03
    20   1     0.01   0.26   0.05     0.16  -0.01   0.07     0.03  -0.05  -0.06
    21   1    -0.07  -0.00   0.03     0.03  -0.05  -0.09     0.20  -0.00   0.04
    22   1     0.08  -0.06  -0.03     0.02   0.01   0.03    -0.16   0.02  -0.00
    23   1     0.05  -0.10  -0.03     0.03  -0.10   0.00    -0.08   0.32   0.02
    24   1     0.07   0.06  -0.03     0.04  -0.04   0.04    -0.15  -0.17  -0.02
    25   1     0.00   0.06  -0.02     0.04   0.05  -0.08    -0.14  -0.13   0.27
    26   1     0.02   0.00   0.07     0.02   0.01   0.02    -0.15   0.01  -0.00
    27   1    -0.00   0.01   0.03     0.05   0.04  -0.01    -0.12   0.10  -0.17
    28   1    -0.01   0.02   0.09    -0.14   0.10   0.05    -0.05   0.09   0.15
    29   6    -0.01   0.04   0.06    -0.01   0.07   0.09     0.04   0.10   0.12
    30   1    -0.06   0.08  -0.13     0.37   0.25   0.15    -0.17   0.16  -0.19
    31   1    -0.07   0.03   0.06     0.04   0.13   0.20     0.07   0.14   0.19
    32   1    -0.03   0.10   0.10     0.01  -0.07   0.06     0.07   0.02   0.06
    33   1    -0.03  -0.01   0.04     0.02   0.03   0.12     0.09   0.09   0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --    597.9521               627.9958               641.7787
 Red. masses --      1.6463                 2.0248                 3.4887
 Frc consts  --      0.3468                 0.4705                 0.8466
 IR Inten    --     61.7871                39.5132                20.7044
 RamAct Fr= 1--      1.4894                 0.5619                 3.2025
  Dep-P Fr= 1--      0.3818                 0.5229                 0.6669
  Dep-U Fr= 1--      0.5527                 0.6867                 0.8001
 Alpha2 Fr= 1--      0.0118                 0.0025                 0.0047
 Beta2  Fr= 1--      0.1372                 0.0643                 0.4271
 AlphaG Fr= 1--      0.0135                 0.0113                -0.0299
 Gamma2 Fr= 1--     -1.0651                 0.0949                -0.1246
 Delta2 Fr= 1--     -0.0052                -0.1924                 0.2158
 Raman1 Fr= 1--       5.958                  2.248                 12.810
 ROA1   Fr= 1--    -102.416                  2.949                 -5.056
 CID1   Fr= 1--     -17.191                  1.312                 -0.395
 Raman2 Fr= 1--       1.646                  0.772                  5.125
 ROA2   Fr= 1--     -25.520                  3.816                 -4.716
 CID2   Fr= 1--     -15.502                  4.945                 -0.920
 Raman3 Fr= 1--       3.293                  1.544                 10.250
 ROA3   Fr= 1--    -102.416                  2.949                 -5.056
 CID3   Fr= 1--     -31.106                  1.911                 -0.493
 RC180  Fr= 1--       0.105                  0.373                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.04  -0.03   0.04     0.08  -0.06   0.09
     2   6     0.04  -0.04  -0.08    -0.10   0.03   0.05    -0.00  -0.06   0.01
     3   6     0.03  -0.02   0.01    -0.00  -0.05  -0.01     0.12   0.10  -0.02
     4   6     0.05  -0.06  -0.07     0.03   0.06   0.11     0.02   0.05  -0.04
     5   6     0.04  -0.02   0.02     0.02   0.04  -0.05    -0.06   0.09  -0.10
     6   6     0.03   0.03   0.03    -0.02   0.06  -0.00    -0.08  -0.06   0.02
     7   6    -0.03  -0.00  -0.01    -0.04  -0.04  -0.09    -0.02  -0.02  -0.01
     8   6    -0.05   0.01   0.01     0.10  -0.01   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.01   0.02   0.01    -0.00   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.00   0.01
    11   6    -0.03   0.06  -0.03     0.10  -0.03   0.01    -0.04  -0.13   0.14
    12   6    -0.08  -0.03  -0.05     0.01   0.01  -0.05    -0.03   0.03   0.11
    13   8    -0.02  -0.02   0.03    -0.03   0.05   0.02     0.06  -0.11  -0.13
    14   8    -0.02  -0.02  -0.05    -0.05  -0.04  -0.01    -0.06   0.17  -0.01
    15   1    -0.01   0.13   0.18     0.08  -0.11  -0.14     0.01  -0.07   0.12
    16   1    -0.01   0.06   0.17     0.02  -0.14  -0.26     0.05   0.13  -0.06
    17   1    -0.02   0.06   0.16     0.05  -0.11  -0.27    -0.02   0.14  -0.06
    18   1    -0.03   0.11   0.19     0.11  -0.07  -0.15    -0.03  -0.07   0.12
    19   1    -0.05   0.00  -0.01    -0.04  -0.05  -0.08    -0.04  -0.02   0.02
    20   1    -0.06  -0.00  -0.01    -0.02  -0.02  -0.08    -0.02  -0.05  -0.03
    21   1    -0.05   0.01   0.01     0.06   0.04   0.08    -0.01   0.01   0.02
    22   1     0.03  -0.00  -0.01    -0.08   0.02   0.01    -0.00   0.01   0.00
    23   1     0.01  -0.05  -0.01    -0.05   0.19   0.03    -0.00   0.01   0.00
    24   1     0.03   0.06   0.00    -0.09  -0.12  -0.02    -0.01   0.00  -0.00
    25   1     0.02   0.02  -0.04    -0.08  -0.07   0.17    -0.00  -0.01   0.01
    26   1     0.03  -0.01  -0.00    -0.08   0.01   0.02    -0.00  -0.00  -0.00
    27   1     0.02  -0.04   0.05    -0.07   0.06  -0.12    -0.00  -0.01   0.01
    28   1     0.01   0.10   0.02     0.13  -0.04  -0.02    -0.08  -0.17   0.07
    29   6     0.01   0.05   0.05    -0.00  -0.01  -0.01    -0.01  -0.05  -0.03
    30   1     0.68   0.01   0.48     0.49  -0.18   0.36     0.38   0.42   0.36
    31   1     0.05   0.12   0.18    -0.08  -0.06  -0.07    -0.02  -0.20  -0.30
    32   1     0.01  -0.06   0.05    -0.05   0.13   0.11     0.03   0.07  -0.15
    33   1     0.02  -0.04   0.05    -0.09  -0.05  -0.09     0.05   0.21   0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6959               703.4642               769.4432
 Red. masses --      5.2652                 3.1641                 3.6831
 Frc consts  --      1.3747                 0.9225                 1.2847
 IR Inten    --      5.9923                34.0466                 8.8997
 RamAct Fr= 1--      4.5025                 0.2750                21.1567
  Dep-P Fr= 1--      0.5456                 0.6251                 0.0096
  Dep-U Fr= 1--      0.7060                 0.7693                 0.0190
 Alpha2 Fr= 1--      0.0176                 0.0006                 0.4597
 Beta2  Fr= 1--      0.5298                 0.0353                 0.0669
 AlphaG Fr= 1--     -0.0048                -0.0057                 0.0656
 Gamma2 Fr= 1--     -0.1501                 0.8016                 0.4953
 Delta2 Fr= 1--     -0.5880                 0.1609                 0.0550
 Raman1 Fr= 1--      18.010                  1.100                 84.627
 ROA1   Fr= 1--     -33.229                 82.100                 49.311
 CID1   Fr= 1--      -1.845                 74.630                  0.583
 Raman2 Fr= 1--       6.358                  0.423                  0.803
 ROA2   Fr= 1--       1.101                 17.951                 11.448
 CID2   Fr= 1--       0.173                 42.423                 14.253
 Raman3 Fr= 1--      12.715                  0.846                  1.606
 ROA3   Fr= 1--     -33.229                 82.100                 49.311
 CID3   Fr= 1--      -2.613                 97.012                 30.696
 RC180  Fr= 1--       0.412                  0.539                 -0.962
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19   0.12  -0.12    -0.07  -0.01  -0.12    -0.05   0.15   0.02
     2   6    -0.00   0.07  -0.04     0.01   0.02   0.04     0.14  -0.09  -0.14
     3   6    -0.20  -0.15  -0.01    -0.12   0.03   0.02     0.02   0.04  -0.13
     4   6     0.00  -0.06   0.05     0.01  -0.05  -0.09    -0.13   0.08   0.13
     5   6     0.21  -0.10   0.12    -0.09   0.01   0.03     0.01  -0.13  -0.03
     6   6     0.23   0.17   0.01    -0.04  -0.06  -0.08    -0.05  -0.04   0.13
     7   6    -0.02   0.01  -0.04     0.10   0.08   0.17     0.08  -0.04  -0.05
     8   6     0.01  -0.00   0.00     0.02  -0.01  -0.01    -0.11   0.01  -0.00
     9   6     0.00   0.01  -0.00    -0.00  -0.06  -0.01    -0.02   0.08   0.00
    10   6    -0.00  -0.00   0.01     0.01   0.03  -0.06    -0.03  -0.03   0.06
    11   6    -0.03  -0.09   0.09     0.12  -0.07   0.07     0.02  -0.06   0.06
    12   6    -0.03   0.01   0.11     0.16   0.02   0.06     0.12   0.03  -0.00
    13   8     0.04  -0.11  -0.08    -0.04   0.06  -0.04    -0.00   0.08  -0.03
    14   8    -0.03   0.14   0.01    -0.07  -0.03  -0.04    -0.01  -0.06  -0.03
    15   1    -0.10   0.16  -0.12    -0.16  -0.02  -0.09    -0.20   0.15   0.12
    16   1    -0.14  -0.19  -0.01    -0.20   0.13   0.14     0.17  -0.10  -0.26
    17   1     0.14  -0.15   0.10    -0.18   0.09   0.20     0.17  -0.18  -0.20
    18   1     0.20   0.19  -0.02    -0.12   0.00  -0.07    -0.19   0.07   0.19
    19   1    -0.03   0.03  -0.17     0.11   0.08   0.14     0.05  -0.03  -0.07
    20   1     0.01   0.13   0.02     0.12   0.08   0.17     0.06  -0.04  -0.05
    21   1    -0.01   0.02   0.02     0.09  -0.08  -0.13    -0.07  -0.03  -0.07
    22   1    -0.01   0.01  -0.00     0.02  -0.06  -0.01     0.08   0.09   0.01
    23   1    -0.00   0.04   0.00     0.02  -0.11  -0.02     0.04  -0.11  -0.02
    24   1    -0.01  -0.00  -0.01     0.03  -0.04   0.01     0.09   0.24   0.03
    25   1    -0.01  -0.00   0.02     0.03   0.04  -0.10     0.06   0.04  -0.10
    26   1    -0.01   0.00   0.01     0.03   0.02  -0.05     0.07  -0.05   0.08
    27   1    -0.01   0.01  -0.01     0.04   0.02  -0.02     0.05  -0.12   0.23
    28   1    -0.04  -0.12   0.04     0.07  -0.08   0.07    -0.03  -0.09   0.02
    29   6    -0.01  -0.07  -0.05     0.02   0.01   0.03     0.01  -0.00   0.03
    30   1     0.10   0.40   0.15     0.46  -0.19   0.32     0.12  -0.26   0.03
    31   1    -0.01  -0.18  -0.25    -0.04  -0.08  -0.11    -0.05  -0.11  -0.16
    32   1     0.02   0.01  -0.13    -0.00   0.19   0.08    -0.01   0.16   0.04
    33   1     0.03   0.12   0.01    -0.02   0.07  -0.00    -0.02   0.13   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    778.4215               818.6302               838.6260
 Red. masses --      3.1503                 3.0379                 2.6289
 Frc consts  --      1.1247                 1.1995                 1.0893
 IR Inten    --      9.3848                 9.9325                 0.4500
 RamAct Fr= 1--     13.4211                 4.3894                11.9695
  Dep-P Fr= 1--      0.0520                 0.1137                 0.0237
  Dep-U Fr= 1--      0.0988                 0.2042                 0.0463
 Alpha2 Fr= 1--      0.2639                 0.0743                 0.2516
 Beta2  Fr= 1--      0.2210                 0.1494                 0.0924
 AlphaG Fr= 1--      0.0599                -0.0136                 0.0504
 Gamma2 Fr= 1--      0.0063                 1.3751                 0.4817
 Delta2 Fr= 1--     -0.1862                 0.1621                 0.2023
 Raman1 Fr= 1--      53.684                 17.558                 47.878
 ROA1   Fr= 1--      -5.356                137.197                 52.713
 CID1   Fr= 1--      -0.100                  7.814                  1.101
 Raman2 Fr= 1--       2.652                  1.793                  1.109
 ROA2   Fr= 1--       1.641                 31.705                  9.942
 CID2   Fr= 1--       0.619                 17.682                  8.967
 Raman3 Fr= 1--       5.304                  3.586                  2.218
 ROA3   Fr= 1--      -5.356                137.197                 52.713
 CID3   Fr= 1--      -1.010                 38.258                 23.770
 RC180  Fr= 1--      -0.802                 -0.592                 -0.907
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.04     0.04   0.03   0.04    -0.03  -0.04   0.04
     2   6     0.01  -0.07  -0.12     0.01  -0.03  -0.06     0.03  -0.04  -0.08
     3   6     0.00  -0.08  -0.06     0.05   0.01   0.01    -0.05  -0.08   0.02
     4   6    -0.00   0.07   0.13    -0.05   0.02   0.03     0.03   0.02   0.04
     5   6     0.02   0.02  -0.11     0.03  -0.04   0.06    -0.06   0.06  -0.03
     6   6    -0.01   0.06  -0.00     0.00  -0.00   0.06    -0.06   0.05   0.00
     7   6    -0.02   0.09   0.17    -0.12   0.05   0.04     0.13   0.02   0.04
     8   6     0.08   0.01   0.03     0.06   0.02   0.05    -0.04   0.00  -0.01
     9   6    -0.00  -0.14  -0.01     0.00  -0.12   0.00    -0.02   0.04  -0.00
    10   6     0.02   0.07  -0.12     0.02   0.06  -0.10    -0.02  -0.02   0.04
    11   6     0.03  -0.03   0.04    -0.08   0.08  -0.07     0.12   0.10  -0.10
    12   6    -0.13   0.01  -0.10     0.21  -0.01   0.16    -0.00  -0.05   0.09
    13   8     0.04  -0.00   0.02    -0.06   0.01  -0.04    -0.04  -0.09   0.02
    14   8     0.04  -0.00   0.03    -0.05  -0.00  -0.04    -0.03   0.08   0.03
    15   1    -0.13   0.18   0.36     0.10   0.01  -0.02    -0.02  -0.02   0.06
    16   1    -0.10  -0.00  -0.02     0.19  -0.13  -0.11    -0.08  -0.10  -0.12
    17   1    -0.08   0.06   0.01     0.18  -0.17  -0.21    -0.03  -0.15  -0.32
    18   1    -0.10   0.23   0.37     0.05  -0.07  -0.08    -0.01  -0.02  -0.13
    19   1    -0.13   0.12   0.17    -0.22   0.06   0.10     0.14   0.01   0.08
    20   1    -0.12   0.12   0.19    -0.25   0.04   0.04     0.12  -0.03   0.02
    21   1     0.13  -0.04  -0.05     0.02   0.05   0.11     0.05  -0.11  -0.17
    22   1    -0.05  -0.20  -0.04    -0.07  -0.21  -0.05     0.07   0.07   0.01
    23   1    -0.01  -0.06  -0.02    -0.03   0.02  -0.01     0.03  -0.13  -0.02
    24   1    -0.04  -0.18  -0.03    -0.07  -0.18  -0.05     0.08   0.16   0.04
    25   1    -0.00   0.02  -0.06    -0.04  -0.02   0.03     0.05   0.04  -0.09
    26   1    -0.01   0.08  -0.19    -0.04   0.09  -0.20     0.05  -0.04   0.08
    27   1    -0.00   0.08  -0.17    -0.04   0.07  -0.19     0.05  -0.06   0.15
    28   1     0.10  -0.07  -0.06    -0.21   0.15   0.11     0.12   0.16   0.00
    29   6     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.03  -0.02  -0.09
    30   1    -0.12  -0.01  -0.09     0.13   0.00   0.09    -0.02   0.31   0.08
    31   1    -0.06  -0.08  -0.11     0.07   0.12   0.18    -0.05   0.12   0.21
    32   1    -0.03   0.14   0.08     0.01  -0.30  -0.15    -0.06  -0.07   0.14
    33   1    -0.06   0.03  -0.04     0.07  -0.15  -0.01    -0.09  -0.43  -0.24
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.3833               857.0206               872.5558
 Red. masses --      2.4864                 1.4125                 1.9313
 Frc consts  --      1.0644                 0.6112                 0.8664
 IR Inten    --      7.1040                 1.1679                21.3620
 RamAct Fr= 1--     10.4379                 2.2109                 2.1291
  Dep-P Fr= 1--      0.1752                 0.4064                 0.6139
  Dep-U Fr= 1--      0.2982                 0.5780                 0.7608
 Alpha2 Fr= 1--      0.1513                 0.0160                 0.0053
 Beta2  Fr= 1--      0.5187                 0.2130                 0.2700
 AlphaG Fr= 1--     -0.1084                -0.0082                -0.0080
 Gamma2 Fr= 1--      0.8443                -0.8334                 0.0013
 Delta2 Fr= 1--     -0.0362                -0.7717                 0.1515
 Raman1 Fr= 1--      41.751                  8.843                  8.517
 ROA1   Fr= 1--      79.899               -104.697                  4.973
 CID1   Fr= 1--       1.914                -11.839                  0.584
 Raman2 Fr= 1--       6.224                  2.556                  3.240
 ROA2   Fr= 1--      20.553                -13.827                 -1.180
 CID2   Fr= 1--       3.302                 -5.410                 -0.364
 Raman3 Fr= 1--      12.449                  5.111                  6.479
 ROA3   Fr= 1--      79.899               -104.697                  4.973
 CID3   Fr= 1--       6.418                -20.484                  0.768
 RC180  Fr= 1--      -0.404                  0.156                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.06    -0.02   0.07   0.03     0.03   0.00  -0.10
     2   6     0.04  -0.02  -0.02     0.01   0.00   0.01    -0.03   0.05   0.09
     3   6     0.02   0.11  -0.04    -0.01   0.07   0.04     0.05   0.01  -0.09
     4   6     0.01  -0.05  -0.08    -0.01   0.00   0.00    -0.05   0.05   0.08
     5   6    -0.02  -0.04   0.13     0.02  -0.07  -0.04     0.02  -0.08  -0.00
     6   6    -0.05  -0.07   0.10     0.00  -0.07  -0.04    -0.01  -0.08  -0.01
     7   6    -0.06   0.01  -0.01    -0.02  -0.01  -0.00    -0.06  -0.00  -0.05
     8   6     0.01   0.02   0.04     0.00   0.00   0.01     0.02  -0.01  -0.03
     9   6    -0.00  -0.06   0.01     0.00  -0.01   0.00     0.01   0.02  -0.01
    10   6     0.01   0.04  -0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    11   6     0.13  -0.03  -0.01     0.06   0.02  -0.03     0.07   0.04  -0.03
    12   6    -0.12  -0.01  -0.04    -0.02  -0.02   0.01     0.02  -0.02   0.04
    13   8     0.01  -0.05   0.03    -0.01  -0.03   0.01    -0.02  -0.03   0.01
    14   8     0.01   0.04   0.04    -0.01   0.03   0.01    -0.02   0.03   0.01
    15   1    -0.09   0.02  -0.12     0.12  -0.21  -0.41    -0.22   0.30   0.42
    16   1     0.08   0.08  -0.01     0.20  -0.21  -0.38    -0.11   0.29   0.42
    17   1     0.25  -0.28  -0.36    -0.14   0.20   0.42    -0.03   0.08   0.23
    18   1     0.07  -0.30  -0.41    -0.19   0.18   0.35    -0.14   0.06   0.18
    19   1    -0.14   0.02   0.01    -0.03  -0.00  -0.03     0.01  -0.02  -0.01
    20   1    -0.13   0.02   0.01    -0.03   0.02   0.01    -0.01  -0.06  -0.08
    21   1    -0.02   0.05   0.08    -0.01   0.02   0.03    -0.05   0.04   0.09
    22   1    -0.03  -0.12  -0.03    -0.01  -0.02  -0.00    -0.03   0.06   0.01
    23   1    -0.01   0.01  -0.01    -0.00   0.03  -0.00    -0.02   0.07   0.03
    24   1    -0.03  -0.06  -0.03    -0.02  -0.03  -0.01    -0.03  -0.07  -0.00
    25   1    -0.01  -0.02   0.00    -0.00   0.00   0.00    -0.04  -0.03   0.11
    26   1    -0.01   0.05  -0.12    -0.01   0.01  -0.02    -0.05  -0.01   0.06
    27   1    -0.02   0.01  -0.07    -0.00   0.01  -0.02    -0.03   0.05  -0.08
    28   1     0.23  -0.05  -0.09     0.09   0.02  -0.03     0.07   0.06   0.01
    29   6     0.05   0.04   0.04     0.02  -0.00  -0.02     0.02  -0.03  -0.06
    30   1    -0.06   0.13   0.01    -0.02   0.09   0.02     0.01   0.09   0.04
    31   1    -0.08  -0.03  -0.03    -0.04   0.01   0.04    -0.06   0.01   0.06
    32   1    -0.03   0.25   0.20    -0.03   0.05   0.10    -0.05   0.04   0.11
    33   1    -0.09  -0.05  -0.09    -0.05  -0.13  -0.09    -0.08  -0.24  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.4688               942.5540               958.2125
 Red. masses --      1.5435                 1.2142                 1.5395
 Frc consts  --      0.7374                 0.6355                 0.8328
 IR Inten    --      0.2029                 0.3146                 0.0826
 RamAct Fr= 1--      0.4766                 0.2443                 4.0751
  Dep-P Fr= 1--      0.7263                 0.7500                 0.7386
  Dep-U Fr= 1--      0.8414                 0.8571                 0.8496
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0008
 Beta2  Fr= 1--      0.0668                 0.0349                 0.5771
 AlphaG Fr= 1--      0.0008                -0.0000                 0.0095
 Gamma2 Fr= 1--     -0.4555                 0.0496                -0.2030
 Delta2 Fr= 1--     -0.3726                 0.0223                 0.7954
 Raman1 Fr= 1--       1.906                  0.977                 16.300
 ROA1   Fr= 1--     -55.652                  5.477                  5.963
 CID1   Fr= 1--     -29.191                  5.604                  0.366
 Raman2 Fr= 1--       0.802                  0.419                  6.925
 ROA2   Fr= 1--      -7.952                  1.013                -11.236
 CID2   Fr= 1--      -9.914                  2.418                 -1.623
 Raman3 Fr= 1--       1.604                  0.838                 13.849
 ROA3   Fr= 1--     -55.652                  5.477                  5.963
 CID3   Fr= 1--     -34.692                  6.538                  0.431
 RC180  Fr= 1--       0.683                  0.714                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
     2   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.00
     3   6    -0.03  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.02   0.01
     4   6     0.00   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.02
     5   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.03   0.04   0.09
     6   6     0.01  -0.03   0.02     0.00  -0.01   0.01     0.04  -0.05  -0.08
     7   6     0.02   0.15  -0.08     0.01   0.06  -0.03    -0.06   0.04   0.05
     8   6     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.02  -0.04  -0.07
     9   6    -0.05  -0.05  -0.02     0.03  -0.01   0.07     0.02   0.05  -0.04
    10   6     0.04  -0.02   0.05    -0.03  -0.06  -0.04     0.01  -0.06   0.02
    11   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    12   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01  -0.07  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.04
    16   1    -0.05  -0.02  -0.07    -0.03   0.00  -0.02     0.07  -0.07  -0.11
    17   1     0.05   0.04   0.05     0.03   0.01   0.02     0.22  -0.28  -0.49
    18   1     0.02  -0.03   0.04     0.01  -0.02   0.01    -0.19   0.28   0.50
    19   1     0.02   0.07   0.51     0.03   0.02   0.21    -0.06   0.04   0.05
    20   1    -0.06  -0.38  -0.34    -0.04  -0.16  -0.14    -0.06   0.02   0.04
    21   1    -0.02  -0.19   0.10     0.03   0.25  -0.14     0.03  -0.05  -0.08
    22   1     0.13  -0.00   0.01    -0.13  -0.42  -0.15     0.01   0.24   0.07
    23   1     0.03  -0.35  -0.04     0.04   0.36  -0.11    -0.02   0.01   0.06
    24   1     0.11   0.14   0.05    -0.06   0.14  -0.15    -0.01  -0.11   0.04
    25   1    -0.09  -0.15   0.30     0.04   0.29  -0.24    -0.02   0.05   0.05
    26   1    -0.13   0.02  -0.03     0.06  -0.12   0.44    -0.04  -0.08   0.25
    27   1    -0.08   0.05  -0.15     0.10   0.18  -0.03     0.01   0.11  -0.09
    28   1    -0.02  -0.03  -0.02    -0.01  -0.01  -0.01     0.00  -0.02  -0.02
    29   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01   0.02
    30   1    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.03  -0.04    -0.00  -0.01  -0.01     0.01   0.00  -0.01
    32   1     0.00   0.03   0.00     0.00   0.01   0.00     0.01   0.01  -0.01
    33   1    -0.00   0.04   0.01    -0.00   0.01   0.00     0.01   0.04   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.7335               973.7294               982.2434
 Red. masses --      1.6949                 1.5758                 1.4190
 Frc consts  --      0.9391                 0.8803                 0.8066
 IR Inten    --      0.2378                 0.0160                 0.1738
 RamAct Fr= 1--      4.4339                 3.1330                 1.2335
  Dep-P Fr= 1--      0.7408                 0.7498                 0.7136
  Dep-U Fr= 1--      0.8511                 0.8570                 0.8329
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0008
 Beta2  Fr= 1--      0.6289                 0.4475                 0.1712
 AlphaG Fr= 1--     -0.0137                -0.0002                 0.0030
 Gamma2 Fr= 1--      1.3598                 0.0166                -0.9655
 Delta2 Fr= 1--     -0.5427                -0.0577                 0.0308
 Raman1 Fr= 1--      17.736                 12.532                  4.934
 ROA1   Fr= 1--     113.177                 -0.252                -91.702
 CID1   Fr= 1--       6.381                 -0.020                -18.586
 Raman2 Fr= 1--       7.547                  5.370                  2.055
 ROA2   Fr= 1--      36.978                  0.859                -23.419
 CID2   Fr= 1--       4.899                  0.160                -11.398
 Raman3 Fr= 1--      15.095                 10.740                  4.109
 ROA3   Fr= 1--     113.177                 -0.252                -91.702
 CID3   Fr= 1--       7.498                 -0.024                -22.316
 RC180  Fr= 1--       0.702                  0.714                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.03     0.00   0.01  -0.00     0.04  -0.06  -0.09
     2   6     0.00   0.02   0.04    -0.00  -0.01  -0.00    -0.00   0.02   0.03
     3   6     0.01  -0.04  -0.04     0.01   0.00  -0.00    -0.04   0.04   0.09
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.02
     5   6    -0.03   0.05   0.04    -0.00  -0.00  -0.01    -0.01   0.01  -0.00
     6   6     0.03  -0.04  -0.08    -0.00   0.01   0.00     0.01   0.00  -0.01
     7   6     0.07  -0.06  -0.08    -0.01  -0.04   0.03     0.03  -0.03  -0.04
     8   6    -0.04   0.05   0.09    -0.01  -0.10   0.05    -0.02   0.02   0.04
     9   6    -0.03  -0.06   0.06    -0.05   0.11   0.06    -0.01  -0.02   0.02
    10   6    -0.00   0.08  -0.03     0.07  -0.01  -0.11     0.00   0.03  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.07  -0.12  -0.18     0.00   0.01  -0.00    -0.21   0.32   0.54
    16   1    -0.13   0.15   0.26     0.01   0.00   0.01     0.21  -0.33  -0.51
    17   1     0.10  -0.16  -0.32    -0.02   0.01   0.02     0.01  -0.02  -0.05
    18   1    -0.17   0.24   0.42     0.01  -0.01  -0.04    -0.02   0.05   0.07
    19   1     0.12  -0.07  -0.08     0.01  -0.03  -0.11     0.08  -0.04  -0.05
    20   1     0.12  -0.05  -0.08    -0.01   0.08   0.09     0.07  -0.03  -0.04
    21   1    -0.07   0.07   0.16    -0.03  -0.33   0.17    -0.05   0.04   0.09
    22   1    -0.02  -0.34  -0.09     0.15  -0.08  -0.04    -0.02  -0.14  -0.04
    23   1     0.03   0.01  -0.08     0.09  -0.13  -0.10     0.01   0.02  -0.03
    24   1     0.01   0.18  -0.06     0.16   0.53   0.03     0.00   0.07  -0.03
    25   1     0.01  -0.07  -0.01    -0.10   0.04   0.16    -0.00  -0.04   0.01
    26   1     0.01   0.10  -0.31    -0.16   0.01   0.11     0.00   0.05  -0.14
    27   1    -0.03  -0.11   0.06    -0.06   0.30  -0.48    -0.02  -0.05   0.02
    28   1    -0.00   0.00   0.01     0.01   0.01   0.01    -0.01  -0.03  -0.07
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.02
    32   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.04   0.01
    33   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.05   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.6060              1046.9044              1083.7729
 Red. masses --      1.9204                 2.8566                 2.1263
 Frc consts  --      1.1648                 1.8447                 1.4715
 IR Inten    --      2.2265                 4.5330                54.6746
 RamAct Fr= 1--     11.0229                 0.0482                 2.5886
  Dep-P Fr= 1--      0.2754                 0.4185                 0.6964
  Dep-U Fr= 1--      0.4319                 0.5901                 0.8210
 Alpha2 Fr= 1--      0.1215                 0.0003                 0.0024
 Beta2  Fr= 1--      0.7934                 0.0047                 0.3542
 AlphaG Fr= 1--      0.0312                -0.0004                 0.0148
 Gamma2 Fr= 1--      0.5266                -0.0680                -2.8682
 Delta2 Fr= 1--     -0.8252                 0.1580                -1.2882
 Raman1 Fr= 1--      44.091                  0.193                 10.354
 ROA1   Fr= 1--      24.146                 -1.469               -316.565
 CID1   Fr= 1--       0.548                 -7.614                -30.574
 Raman2 Fr= 1--       9.521                  0.057                  4.250
 ROA2   Fr= 1--      19.240                 -2.895                -58.530
 CID2   Fr= 1--       2.021                -50.865                -13.770
 Raman3 Fr= 1--      19.042                  0.114                  8.501
 ROA3   Fr= 1--      24.146                 -1.469               -316.565
 CID3   Fr= 1--       1.268                -12.904                -37.239
 RC180  Fr= 1--      -0.136                  0.180                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.04  -0.06     0.00  -0.17   0.10     0.01  -0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.03  -0.01  -0.01    -0.01   0.04  -0.02
     3   6    -0.01   0.05   0.00     0.05   0.18  -0.09    -0.02  -0.00   0.00
     4   6     0.07  -0.03   0.02    -0.04  -0.01  -0.01     0.05   0.03  -0.01
     5   6    -0.00   0.02   0.00     0.01  -0.17   0.10     0.02  -0.04   0.04
     6   6    -0.03  -0.04   0.01     0.05   0.18  -0.09    -0.05  -0.04   0.00
     7   6     0.01   0.01  -0.01     0.01  -0.00   0.00     0.01   0.02  -0.01
     8   6     0.00   0.01  -0.00     0.00   0.01   0.00    -0.00  -0.07   0.04
     9   6    -0.00  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.03  -0.01
    10   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.02   0.03  -0.02
    11   6     0.03   0.03   0.18     0.01  -0.01   0.02     0.04   0.19   0.03
    12   6    -0.06   0.02  -0.05    -0.01   0.01  -0.00    -0.05   0.05   0.06
    13   8     0.03   0.03  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.01
    14   8     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.02  -0.09  -0.03
    15   1    -0.14   0.05   0.01    -0.30  -0.34   0.09     0.06   0.00   0.02
    16   1     0.03  -0.03  -0.16    -0.19   0.30  -0.26    -0.16   0.06  -0.12
    17   1     0.00  -0.02  -0.06    -0.28  -0.34   0.07     0.10  -0.02   0.02
    18   1    -0.01  -0.04   0.04    -0.19   0.31  -0.24    -0.18   0.02  -0.06
    19   1    -0.03   0.01   0.02     0.02  -0.00   0.00     0.25  -0.05   0.02
    20   1     0.04  -0.02  -0.02     0.05  -0.01  -0.01    -0.27   0.00   0.01
    21   1     0.01   0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.11   0.02
    22   1     0.00  -0.03  -0.01     0.01  -0.03  -0.01    -0.01   0.10   0.03
    23   1     0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.07   0.04
    24   1     0.00   0.02  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.02
    25   1     0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01  -0.11
    26   1     0.00  -0.00   0.01     0.01   0.00  -0.01     0.05   0.03  -0.11
    27   1     0.00  -0.00   0.01     0.00  -0.01   0.02     0.01  -0.06   0.07
    28   1     0.21   0.27   0.54     0.06   0.04   0.10     0.16   0.06  -0.27
    29   6    -0.07  -0.05  -0.12     0.01   0.00  -0.02    -0.05  -0.13   0.02
    30   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00     0.01   0.28   0.03
    31   1     0.12   0.15   0.21    -0.01   0.04   0.06     0.05  -0.31  -0.38
    32   1    -0.01  -0.50  -0.22    -0.01  -0.03   0.03     0.05   0.02  -0.25
    33   1     0.11  -0.22   0.02    -0.00  -0.08  -0.03     0.02   0.31   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1095.0043              1103.8368              1110.1409
 Red. masses --      1.5980                 2.0355                 1.4810
 Frc consts  --      1.1289                 1.4613                 1.0754
 IR Inten    --      7.0088                45.9944                 0.8120
 RamAct Fr= 1--      0.9666                 7.7747                 3.9234
  Dep-P Fr= 1--      0.3758                 0.2206                 0.1656
  Dep-U Fr= 1--      0.5463                 0.3614                 0.2842
 Alpha2 Fr= 1--      0.0078                 0.0999                 0.0583
 Beta2  Fr= 1--      0.0880                 0.4684                 0.1858
 AlphaG Fr= 1--     -0.0136                 0.0596                 0.0123
 Gamma2 Fr= 1--      0.1911                 1.7848                -0.2624
 Delta2 Fr= 1--     -0.0266                 3.5101                 0.0061
 Raman1 Fr= 1--       3.866                 31.099                 15.694
 ROA1   Fr= 1--      17.491                283.662                -24.991
 CID1   Fr= 1--       4.524                  9.121                 -1.592
 Raman2 Fr= 1--       1.056                  5.620                  2.230
 ROA2   Fr= 1--       4.798                 14.753                 -6.346
 CID2   Fr= 1--       4.543                  2.625                 -2.845
 Raman3 Fr= 1--       2.112                 11.241                  4.460
 ROA3   Fr= 1--      17.491                283.662                -24.991
 CID3   Fr= 1--       8.282                 25.236                 -5.603
 RC180  Fr= 1--       0.093                 -0.277                 -0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.03     0.02   0.01   0.00     0.01   0.01  -0.02
     2   6     0.02   0.04  -0.02     0.02  -0.03   0.01    -0.08   0.02   0.02
     3   6    -0.03  -0.03   0.01     0.00  -0.01   0.02     0.02   0.01   0.00
     4   6    -0.02   0.01  -0.05    -0.03  -0.02  -0.06    -0.00  -0.00  -0.01
     5   6     0.01  -0.00   0.01    -0.03   0.01  -0.00     0.02  -0.01   0.02
     6   6     0.00  -0.02   0.02     0.02   0.04  -0.01     0.00  -0.01  -0.01
     7   6     0.00   0.04  -0.02    -0.01  -0.04   0.03    -0.01  -0.02  -0.03
     8   6    -0.02  -0.09   0.05    -0.01   0.09  -0.05     0.14  -0.00   0.01
     9   6     0.04   0.04  -0.02    -0.02  -0.04   0.01    -0.08   0.01   0.02
    10   6    -0.02   0.04  -0.03     0.04  -0.04   0.03    -0.07   0.02   0.01
    11   6    -0.05  -0.03   0.08    -0.06   0.12   0.09    -0.02   0.00   0.01
    12   6    -0.00  -0.00  -0.03    -0.04   0.05   0.04    -0.00   0.00  -0.00
    13   8     0.02   0.02  -0.01     0.02   0.03  -0.02     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00     0.02  -0.08  -0.03     0.00  -0.00  -0.00
    15   1     0.09  -0.02   0.02     0.07   0.04   0.00     0.06   0.08   0.04
    16   1    -0.09  -0.02  -0.07     0.12  -0.09   0.04     0.07  -0.01   0.03
    17   1     0.17   0.06  -0.01    -0.06  -0.04  -0.06     0.06   0.00   0.02
    18   1    -0.02  -0.01   0.00     0.03   0.03  -0.03     0.03  -0.01   0.08
    19   1     0.36  -0.06   0.06    -0.27   0.04  -0.08    -0.26   0.03   0.03
    20   1    -0.35  -0.02  -0.02     0.34   0.02   0.03    -0.21   0.06   0.03
    21   1    -0.05  -0.12   0.11    -0.04   0.17  -0.01     0.37  -0.23  -0.37
    22   1    -0.04   0.16   0.04     0.00  -0.12  -0.03     0.16  -0.06  -0.02
    23   1    -0.03   0.14   0.07     0.01  -0.07  -0.04     0.06  -0.28  -0.10
    24   1    -0.03  -0.12   0.01    -0.00   0.03  -0.02     0.14   0.31   0.08
    25   1     0.03   0.00  -0.11    -0.05  -0.01   0.16     0.09   0.05  -0.26
    26   1     0.04   0.04  -0.14    -0.07  -0.03   0.14     0.16  -0.02  -0.03
    27   1    -0.00  -0.05   0.05    -0.02   0.08  -0.12     0.09  -0.12   0.30
    28   1    -0.31   0.02   0.27    -0.21   0.06   0.05    -0.08  -0.00   0.03
    29   6     0.08   0.00  -0.04     0.10  -0.09  -0.04     0.02  -0.01  -0.01
    30   1     0.00  -0.14  -0.03     0.00   0.13  -0.00     0.00  -0.02  -0.01
    31   1    -0.17   0.02   0.09    -0.23  -0.24  -0.19    -0.05  -0.02  -0.01
    32   1    -0.06   0.16   0.28    -0.04   0.33   0.25    -0.01   0.07   0.07
    33   1    -0.12  -0.31  -0.25    -0.19  -0.18  -0.30    -0.04  -0.05  -0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.1907              1161.8647              1202.8117
 Red. masses --      1.5531                 2.0650                 2.0119
 Frc consts  --      1.2022                 1.6424                 1.7150
 IR Inten    --     46.6366               157.5915                 0.7332
 RamAct Fr= 1--      1.6228                 1.0872                 8.4502
  Dep-P Fr= 1--      0.2419                 0.7369                 0.2822
  Dep-U Fr= 1--      0.3895                 0.8485                 0.4402
 Alpha2 Fr= 1--      0.0197                 0.0002                 0.0913
 Beta2  Fr= 1--      0.1054                 0.1538                 0.6199
 AlphaG Fr= 1--      0.0062                -0.0042                -0.0256
 Gamma2 Fr= 1--     -0.1529                -1.4362                -0.1360
 Delta2 Fr= 1--     -0.1744                -0.5593                 0.3459
 Raman1 Fr= 1--       6.491                  4.349                 33.801
 ROA1   Fr= 1--     -20.263               -155.773                 -1.987
 CID1   Fr= 1--      -3.122                -35.820                 -0.059
 Raman2 Fr= 1--       1.264                  1.845                  7.439
 ROA2   Fr= 1--      -2.275                -29.994                 -6.031
 CID2   Fr= 1--      -1.799                -16.257                 -0.811
 Raman3 Fr= 1--       2.528                  3.690                 14.878
 ROA3   Fr= 1--     -20.263               -155.773                 -1.987
 CID3   Fr= 1--      -8.014                -42.214                 -0.134
 RC180  Fr= 1--      -0.221                  0.697                 -0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00  -0.02    -0.05   0.01  -0.02     0.02  -0.01   0.01
     2   6    -0.00  -0.02   0.01    -0.00  -0.01   0.00     0.06   0.02   0.04
     3   6     0.05   0.02   0.01     0.05   0.01   0.02    -0.03  -0.02  -0.00
     4   6    -0.05  -0.04   0.01     0.05   0.00   0.00    -0.03  -0.00  -0.01
     5   6    -0.06   0.03  -0.04    -0.04  -0.01  -0.00    -0.02   0.02  -0.02
     6   6     0.08   0.02   0.02     0.03   0.00   0.01     0.02   0.01  -0.00
     7   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.02  -0.03  -0.06
     8   6    -0.00  -0.05   0.03    -0.00  -0.01   0.01     0.04   0.09   0.18
     9   6     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.05  -0.02  -0.12
    10   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.05  -0.08  -0.09
    11   6    -0.00  -0.01  -0.01    -0.00   0.13   0.02     0.02   0.01   0.01
    12   6    -0.03   0.05   0.07     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    13   8     0.01   0.02  -0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    14   8     0.01  -0.07  -0.02    -0.01   0.13   0.02    -0.00   0.01   0.00
    15   1    -0.37  -0.17  -0.05    -0.29  -0.12  -0.04    -0.06  -0.04   0.02
    16   1     0.33  -0.11   0.21     0.24  -0.08   0.12    -0.04  -0.01  -0.01
    17   1    -0.33  -0.12  -0.06    -0.33  -0.20  -0.05    -0.02   0.02  -0.02
    18   1     0.44  -0.15   0.26     0.17  -0.07   0.11    -0.06   0.06  -0.03
    19   1     0.11  -0.00   0.09     0.03   0.00   0.03    -0.09  -0.01   0.00
    20   1    -0.14  -0.05  -0.06    -0.03  -0.02  -0.02    -0.08   0.03  -0.02
    21   1    -0.00  -0.10   0.05    -0.01  -0.03   0.02    -0.04   0.18   0.33
    22   1    -0.01   0.07   0.02    -0.01   0.02   0.00     0.11   0.34   0.09
    23   1    -0.01   0.06   0.03    -0.00   0.02   0.01    -0.09  -0.37   0.13
    24   1    -0.01  -0.04   0.00    -0.01  -0.01  -0.00     0.08  -0.19   0.17
    25   1     0.02   0.01  -0.08     0.00  -0.00  -0.01    -0.01   0.32  -0.24
    26   1     0.03   0.02  -0.06     0.00   0.01  -0.02     0.05  -0.12   0.34
    27   1     0.00  -0.03   0.05    -0.00  -0.01   0.01     0.12   0.23  -0.06
    28   1     0.20  -0.01  -0.10    -0.31   0.11   0.12     0.06   0.02   0.02
    29   6     0.01   0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.01   0.00
    30   1    -0.02   0.25   0.03     0.04  -0.47  -0.06     0.00  -0.02  -0.00
    31   1    -0.01   0.04   0.05    -0.02  -0.23  -0.25     0.02  -0.01  -0.01
    32   1    -0.01   0.00   0.04     0.03   0.13  -0.09     0.00  -0.01  -0.02
    33   1    -0.01  -0.05  -0.04    -0.04   0.19   0.03     0.01   0.02   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1278              1223.4806              1236.4778
 Red. masses --      1.3080                 2.0005                 2.4868
 Frc consts  --      1.1342                 1.7643                 2.2400
 IR Inten    --      4.4393                12.7242                 2.1598
 RamAct Fr= 1--     39.0188                34.0902                31.4725
  Dep-P Fr= 1--      0.0859                 0.1658                 0.1754
  Dep-U Fr= 1--      0.1583                 0.2844                 0.2985
 Alpha2 Fr= 1--      0.7070                 0.5062                 0.4558
 Beta2  Fr= 1--      1.0292                 1.6161                 1.5658
 AlphaG Fr= 1--      0.0541                 0.0137                 0.0686
 Gamma2 Fr= 1--      1.9256                 1.8675                -0.0059
 Delta2 Fr= 1--     -0.1883                -0.2421                -0.2886
 Raman1 Fr= 1--     156.075                136.361                125.890
 ROA1   Fr= 1--     178.834                171.531                 -9.805
 CID1   Fr= 1--       1.146                  1.258                 -0.078
 Raman2 Fr= 1--      12.350                 19.394                 18.790
 ROA2   Fr= 1--      47.721                 46.756                  2.167
 CID2   Fr= 1--       3.864                  2.411                  0.115
 Raman3 Fr= 1--      24.700                 38.787                 37.580
 ROA3   Fr= 1--     178.834                171.531                 -9.805
 CID3   Fr= 1--       7.240                  4.422                 -0.261
 RC180  Fr= 1--      -0.683                 -0.431                 -0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02    -0.09   0.01  -0.04     0.03  -0.00   0.01
     2   6     0.03  -0.00   0.01    -0.03   0.00  -0.02     0.27   0.04   0.10
     3   6     0.01  -0.03   0.02     0.08  -0.01   0.04    -0.06  -0.06   0.01
     4   6    -0.10  -0.02  -0.03     0.20   0.04   0.06     0.05   0.03   0.01
     5   6     0.02   0.04  -0.02     0.06  -0.01   0.03    -0.07   0.04  -0.05
     6   6    -0.00   0.05  -0.03    -0.08  -0.03  -0.01     0.04  -0.01   0.02
     7   6    -0.02   0.00  -0.00     0.03  -0.00   0.01    -0.11  -0.02  -0.03
     8   6     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.04  -0.03  -0.09
     9   6     0.00   0.00   0.01    -0.00  -0.01  -0.01    -0.02   0.00   0.03
    10   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00   0.02   0.03
    11   6     0.04   0.02   0.02    -0.07  -0.03  -0.03     0.01  -0.01  -0.00
    12   6     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.01   0.01  -0.00
    13   8    -0.00  -0.01   0.01     0.01   0.02  -0.01     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00    -0.00  -0.04  -0.00    -0.00  -0.01   0.00
    15   1    -0.32  -0.22   0.00    -0.49  -0.20  -0.07    -0.28  -0.18  -0.00
    16   1     0.36  -0.20   0.27     0.23  -0.07   0.14    -0.29   0.04  -0.14
    17   1     0.49   0.32   0.02     0.07  -0.01   0.03    -0.36  -0.13  -0.07
    18   1    -0.27   0.18  -0.21    -0.40   0.12  -0.22    -0.23   0.13  -0.17
    19   1    -0.04   0.01  -0.01     0.07  -0.01  -0.02    -0.28   0.03  -0.06
    20   1    -0.04  -0.01  -0.01     0.03  -0.00   0.01    -0.44   0.05   0.03
    21   1     0.01  -0.02  -0.02    -0.00   0.04   0.02    -0.00   0.07  -0.05
    22   1    -0.00  -0.03  -0.01     0.00   0.03   0.01     0.03  -0.09  -0.02
    23   1     0.01   0.03  -0.02    -0.01  -0.04   0.02     0.04   0.01  -0.08
    24   1     0.00   0.04  -0.01     0.01  -0.03   0.01     0.01   0.14  -0.03
    25   1     0.01  -0.03   0.00    -0.01   0.04  -0.00     0.01  -0.09   0.04
    26   1     0.01   0.01  -0.04    -0.01  -0.01   0.04     0.02   0.02  -0.05
    27   1    -0.01  -0.03   0.03     0.01   0.03  -0.03    -0.02  -0.08   0.07
    28   1     0.23   0.08   0.06    -0.44  -0.17  -0.12    -0.16  -0.06  -0.03
    29   6    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.01   0.01  -0.00
    30   1     0.01  -0.08  -0.01    -0.02   0.18   0.02    -0.01   0.09   0.02
    31   1     0.03  -0.03  -0.03    -0.05   0.06   0.06     0.01   0.03   0.02
    32   1     0.00   0.01  -0.03    -0.01  -0.01   0.05    -0.00  -0.05  -0.01
    33   1     0.01   0.05   0.03    -0.03  -0.08  -0.06     0.01  -0.03   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.5435              1280.4830              1309.4038
 Red. masses --      1.3872                 1.7449                 1.5706
 Frc consts  --      1.2659                 1.6856                 1.5865
 IR Inten    --      0.7248                 2.6298                 1.0400
 RamAct Fr= 1--      6.4595                 5.0840                 8.1899
  Dep-P Fr= 1--      0.7475                 0.6406                 0.1573
  Dep-U Fr= 1--      0.8555                 0.7809                 0.2718
 Alpha2 Fr= 1--      0.0003                 0.0100                 0.1243
 Beta2  Fr= 1--      0.9211                 0.6617                 0.3711
 AlphaG Fr= 1--     -0.0043                 0.0078                 0.0437
 Gamma2 Fr= 1--     -0.2447                 2.1008                 0.2036
 Delta2 Fr= 1--     -0.0148                 1.2927                 1.9524
 Raman1 Fr= 1--      25.838                 20.336                 32.759
 ROA1   Fr= 1--     -23.961                243.048                 82.018
 CID1   Fr= 1--      -0.927                 11.952                  2.504
 Raman2 Fr= 1--      11.053                  7.941                  4.453
 ROA2   Fr= 1--      -5.753                 40.078                -10.734
 CID2   Fr= 1--      -0.521                  5.047                 -2.411
 Raman3 Fr= 1--      22.105                 15.881                  8.905
 ROA3   Fr= 1--     -23.961                243.048                 82.018
 CID3   Fr= 1--      -1.084                 15.304                  9.210
 RC180  Fr= 1--       0.711                  0.562                 -0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.01     0.01   0.03  -0.01     0.03   0.02  -0.00
     2   6    -0.02   0.07  -0.05     0.01  -0.02   0.02    -0.01  -0.01   0.03
     3   6     0.02  -0.01   0.01    -0.01   0.03  -0.02    -0.01   0.02  -0.02
     4   6    -0.02   0.03  -0.03     0.07  -0.09   0.07     0.01  -0.06   0.05
     5   6    -0.02  -0.03   0.01     0.03   0.04  -0.01     0.02   0.02  -0.01
     6   6     0.02  -0.03   0.02    -0.04   0.00  -0.02    -0.02   0.01  -0.02
     7   6     0.01  -0.04   0.03     0.00  -0.00  -0.00     0.06  -0.02  -0.03
     8   6     0.01   0.09  -0.04    -0.00   0.01  -0.01    -0.06   0.02   0.03
     9   6    -0.05  -0.03   0.00    -0.01  -0.00  -0.00     0.03  -0.01  -0.01
    10   6     0.05  -0.03   0.02     0.01  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.03  -0.01   0.01    -0.16   0.01  -0.01    -0.03  -0.02  -0.08
    12   6    -0.01  -0.00  -0.00     0.02   0.04   0.06     0.05  -0.07  -0.07
    13   8     0.00   0.00   0.00    -0.02  -0.05   0.01     0.00   0.05  -0.00
    14   8    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.03  -0.02   0.04
    15   1    -0.06  -0.06   0.01    -0.21  -0.09  -0.03    -0.11  -0.05  -0.00
    16   1     0.03  -0.01   0.02    -0.21   0.13  -0.17    -0.10   0.06  -0.07
    17   1     0.06   0.02   0.02     0.10   0.07  -0.02     0.09   0.07   0.01
    18   1     0.15  -0.10   0.11     0.04  -0.04   0.04     0.06  -0.02   0.05
    19   1     0.52  -0.14  -0.18     0.11  -0.03  -0.02    -0.17   0.03   0.07
    20   1    -0.43   0.17   0.16    -0.17   0.03   0.03    -0.29   0.08   0.06
    21   1     0.05   0.42  -0.23     0.01   0.10  -0.06     0.09  -0.08  -0.24
    22   1     0.05  -0.08  -0.02     0.01  -0.00  -0.00    -0.07   0.03   0.01
    23   1     0.02  -0.18  -0.07     0.00  -0.03  -0.01    -0.02   0.06   0.05
    24   1     0.02   0.09   0.01     0.01   0.02   0.00    -0.02  -0.05  -0.02
    25   1    -0.05  -0.02   0.18    -0.01  -0.01   0.03    -0.03  -0.00   0.10
    26   1    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.08   0.01   0.01
    27   1    -0.00   0.05  -0.10    -0.00   0.00  -0.02    -0.02   0.02  -0.08
    28   1    -0.01  -0.01   0.02     0.62   0.12  -0.16     0.03   0.28   0.46
    29   6    -0.01   0.00  -0.00     0.05  -0.00   0.01     0.02  -0.03   0.05
    30   1    -0.00   0.02   0.01     0.05  -0.46  -0.09    -0.08   0.53   0.10
    31   1     0.02   0.02   0.01    -0.14  -0.06  -0.03    -0.03  -0.11  -0.08
    32   1    -0.00  -0.03  -0.02     0.00   0.09   0.11     0.03   0.15   0.01
    33   1     0.02   0.00   0.02    -0.10  -0.03  -0.12    -0.05   0.13   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1310.0898              1349.6116              1366.2049
 Red. masses --      1.5531                 2.2396                 1.4467
 Frc consts  --      1.5705                 2.4034                 1.5909
 IR Inten    --     12.3148                 0.1856                 0.1539
 RamAct Fr= 1--     23.2976                 1.9278                 1.0738
  Dep-P Fr= 1--      0.3598                 0.6781                 0.5387
  Dep-U Fr= 1--      0.5292                 0.8081                 0.7002
 Alpha2 Fr= 1--      0.1981                 0.0024                 0.0044
 Beta2  Fr= 1--      2.0547                 0.2596                 0.1253
 AlphaG Fr= 1--      0.1021                 0.0037                -0.0055
 Gamma2 Fr= 1--     -3.7849                -1.4171                 1.8272
 Delta2 Fr= 1--     -2.6801                -2.0149                 1.5571
 Raman1 Fr= 1--      93.190                  7.711                  4.295
 ROA1   Fr= 1--    -449.113               -200.521                225.237
 CID1   Fr= 1--      -4.819                -26.005                 52.437
 Raman2 Fr= 1--      24.657                  3.116                  1.504
 ROA2   Fr= 1--     -69.396                -17.891                 31.395
 CID2   Fr= 1--      -2.815                 -5.742                 20.877
 Raman3 Fr= 1--      49.313                  6.232                  3.008
 ROA3   Fr= 1--    -449.113               -200.521                225.237
 CID3   Fr= 1--      -9.107                -32.178                 74.886
 RC180  Fr= 1--       0.058                  0.616                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.09  -0.05  -0.00    -0.08  -0.03  -0.01
     2   6     0.02  -0.03  -0.02     0.02   0.16  -0.09    -0.00  -0.02   0.01
     3   6    -0.01   0.01  -0.01     0.11  -0.05   0.07     0.02  -0.00   0.01
     4   6     0.01  -0.04   0.03     0.03   0.07  -0.03     0.03   0.10  -0.04
     5   6     0.01   0.01  -0.00    -0.12  -0.07  -0.01    -0.01   0.00  -0.01
     6   6    -0.02   0.01  -0.01     0.07  -0.04   0.05     0.06  -0.03   0.04
     7   6    -0.10   0.04   0.05    -0.00  -0.04   0.02     0.00   0.02  -0.01
     8   6     0.11  -0.04  -0.05     0.01   0.06  -0.03    -0.00  -0.04   0.02
     9   6    -0.06   0.01   0.01     0.03  -0.00   0.02    -0.01   0.01  -0.01
    10   6    -0.05   0.01   0.01    -0.03  -0.01  -0.01     0.01   0.01   0.00
    11   6    -0.02  -0.01  -0.04    -0.04  -0.03  -0.03    -0.05  -0.04  -0.05
    12   6     0.03  -0.03  -0.04     0.01   0.00   0.00    -0.00   0.01   0.02
    13   8     0.00   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.05  -0.03  -0.03    -0.14  -0.08  -0.01     0.36   0.21   0.01
    16   1    -0.06   0.04  -0.05    -0.28   0.14  -0.20     0.22  -0.09   0.15
    17   1     0.04   0.03  -0.00     0.28   0.17   0.03    -0.29  -0.15  -0.02
    18   1     0.05  -0.04   0.01     0.11  -0.06   0.08    -0.35   0.17  -0.23
    19   1     0.45  -0.08  -0.13    -0.24   0.04  -0.05     0.01   0.01   0.03
    20   1     0.37  -0.14  -0.08     0.25   0.02   0.02    -0.01  -0.03  -0.03
    21   1    -0.16   0.26   0.38    -0.05  -0.46   0.25     0.03   0.23  -0.12
    22   1     0.13  -0.04  -0.02    -0.05  -0.08  -0.02     0.03   0.04   0.01
    23   1     0.03  -0.14  -0.09     0.03   0.06  -0.01    -0.02  -0.02   0.01
    24   1     0.04   0.12   0.05    -0.05  -0.05  -0.06     0.03   0.02   0.04
    25   1     0.05  -0.01  -0.15    -0.01   0.04  -0.04     0.01  -0.02   0.01
    26   1     0.13  -0.02  -0.03     0.04  -0.03   0.08    -0.02   0.02  -0.05
    27   1     0.02  -0.03   0.12     0.05   0.01   0.08    -0.03  -0.02  -0.04
    28   1     0.02   0.15   0.25     0.26   0.17   0.19     0.39   0.25   0.29
    29   6     0.01  -0.02   0.03     0.01  -0.00   0.02     0.02  -0.02   0.02
    30   1    -0.04   0.29   0.05    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    31   1    -0.02  -0.06  -0.05    -0.05  -0.05  -0.04    -0.04  -0.05  -0.02
    32   1     0.01   0.08   0.01     0.01   0.02   0.01     0.01   0.08   0.02
    33   1    -0.03   0.07  -0.00    -0.03   0.03  -0.01    -0.05   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3121              1388.0537              1392.6155
 Red. masses --      1.3987                 1.3537                 1.9977
 Frc consts  --      1.5588                 1.5366                 2.2826
 IR Inten    --      0.5105                 9.5340                45.3389
 RamAct Fr= 1--      1.6831                11.7138                 4.1167
  Dep-P Fr= 1--      0.7468                 0.4033                 0.7495
  Dep-U Fr= 1--      0.8550                 0.5748                 0.8568
 Alpha2 Fr= 1--      0.0001                 0.0857                 0.0000
 Beta2  Fr= 1--      0.2399                 1.1223                 0.5879
 AlphaG Fr= 1--      0.0015                 0.0368                 0.0025
 Gamma2 Fr= 1--     -0.0918                -0.2054                 1.7261
 Delta2 Fr= 1--     -0.1098                -0.3775                -1.0493
 Raman1 Fr= 1--       6.733                 46.855                 16.467
 ROA1   Fr= 1--     -12.326                -31.796                132.127
 CID1   Fr= 1--      -1.831                 -0.679                  8.024
 Raman2 Fr= 1--       2.878                 13.467                  7.055
 ROA2   Fr= 1--      -1.325                 -1.909                 49.820
 CID2   Fr= 1--      -0.460                 -0.142                  7.062
 Raman3 Fr= 1--       5.757                 26.934                 14.109
 ROA3   Fr= 1--     -12.326                -31.796                132.127
 CID3   Fr= 1--      -2.141                 -1.181                  9.365
 RC180  Fr= 1--       0.710                  0.150                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03   0.01   0.00
     2   6     0.01   0.05  -0.03    -0.04   0.00  -0.01    -0.00   0.00   0.00
     3   6     0.04  -0.02   0.03     0.01   0.01  -0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.02
     5   6    -0.05  -0.03  -0.00     0.01  -0.01   0.01     0.02   0.00   0.00
     6   6     0.01   0.00   0.00    -0.01   0.01  -0.01    -0.03   0.01  -0.02
     7   6     0.00   0.01  -0.01     0.12  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02  -0.13   0.07     0.03  -0.05  -0.09     0.00  -0.00  -0.01
     9   6    -0.03  -0.00  -0.04    -0.03  -0.02   0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.02   0.03    -0.02   0.02  -0.02    -0.00   0.00   0.00
    11   6     0.01   0.01   0.01    -0.01   0.00   0.01     0.09  -0.04  -0.14
    12   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.12   0.13   0.13
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.05
    15   1    -0.13  -0.07  -0.01     0.05   0.03   0.01    -0.11  -0.07  -0.00
    16   1    -0.17   0.08  -0.12     0.05  -0.01   0.02    -0.02   0.00   0.00
    17   1     0.20   0.12   0.02     0.05   0.01   0.01     0.01   0.01   0.03
    18   1     0.12  -0.05   0.08     0.04  -0.02   0.04     0.08  -0.05   0.06
    19   1    -0.27   0.07   0.08    -0.35   0.09   0.22    -0.03   0.01   0.01
    20   1     0.28  -0.08  -0.07    -0.33   0.20   0.16    -0.01   0.02   0.01
    21   1     0.07   0.58  -0.32    -0.34   0.32   0.52    -0.02   0.02   0.04
    22   1     0.07   0.19   0.06     0.07   0.09   0.06     0.00   0.02   0.01
    23   1    -0.08   0.03   0.05     0.00   0.08  -0.08    -0.01   0.03  -0.00
    24   1     0.13   0.12   0.09     0.04   0.16  -0.03     0.01   0.03  -0.01
    25   1     0.08  -0.04  -0.05    -0.02  -0.11   0.02     0.00  -0.00  -0.01
    26   1    -0.04   0.06  -0.20     0.06  -0.02   0.12     0.01  -0.00  -0.00
    27   1    -0.11   0.01  -0.16     0.01  -0.11   0.12    -0.00   0.00  -0.00
    28   1    -0.07  -0.04  -0.05     0.01  -0.01  -0.03    -0.40   0.25   0.60
    29   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.06
    30   1     0.00   0.01   0.00    -0.00   0.02   0.00     0.06  -0.43  -0.09
    31   1     0.00   0.00  -0.01    -0.01   0.01   0.01     0.12  -0.10  -0.16
    32   1    -0.00  -0.03  -0.01    -0.00  -0.00   0.01     0.08   0.08  -0.16
    33   1     0.01  -0.03   0.00     0.00   0.00  -0.00    -0.07  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.0844              1415.9062              1424.7616
 Red. masses --      1.2792                 1.2215                 1.2489
 Frc consts  --      1.4880                 1.4428                 1.4937
 IR Inten    --      8.5611                11.1142                 7.6617
 RamAct Fr= 1--      0.0447                 0.8696                 2.9214
  Dep-P Fr= 1--      0.5959                 0.5950                 0.5403
  Dep-U Fr= 1--      0.7468                 0.7461                 0.7016
 Alpha2 Fr= 1--      0.0001                 0.0025                 0.0118
 Beta2  Fr= 1--      0.0056                 0.1081                 0.3416
 AlphaG Fr= 1--      0.0002                 0.0065                 0.0012
 Gamma2 Fr= 1--      0.0004                 0.0411                -0.0134
 Delta2 Fr= 1--     -0.0160                 0.0604                 0.0006
 Raman1 Fr= 1--       0.179                  3.479                 11.686
 ROA1   Fr= 1--      -0.471                  5.877                 -1.268
 CID1   Fr= 1--      -2.635                  1.689                 -0.109
 Raman2 Fr= 1--       0.067                  1.298                  4.099
 ROA2   Fr= 1--       0.139                  0.504                 -0.327
 CID2   Fr= 1--       2.080                  0.388                 -0.080
 Raman3 Fr= 1--       0.134                  2.595                  8.198
 ROA3   Fr= 1--      -0.471                  5.877                 -1.268
 CID3   Fr= 1--      -3.528                  2.264                 -0.155
 RC180  Fr= 1--       0.494                  0.492                  0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.04   0.00  -0.00
     8   6     0.01   0.05  -0.03    -0.00  -0.00   0.00    -0.00   0.01   0.03
     9   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.01  -0.10  -0.02
    10   6    -0.01  -0.06   0.09     0.00   0.00  -0.00     0.01   0.04  -0.09
    11   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    15   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.01  -0.01  -0.00
    16   1     0.03  -0.02   0.02    -0.03   0.00  -0.03    -0.01   0.00  -0.01
    17   1    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.01  -0.00  -0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.02   0.02    -0.01   0.00  -0.01
    19   1     0.06  -0.02  -0.03    -0.02   0.00  -0.00     0.13  -0.04  -0.01
    20   1    -0.07   0.03   0.03     0.02  -0.00  -0.00     0.13  -0.02  -0.03
    21   1    -0.02  -0.14   0.08     0.00   0.01  -0.00     0.08  -0.07  -0.11
    22   1     0.03   0.30   0.20    -0.00  -0.01  -0.01     0.03   0.32   0.20
    23   1    -0.07   0.40  -0.06     0.00  -0.01   0.00    -0.12   0.39   0.01
    24   1     0.15   0.35  -0.09    -0.00  -0.01   0.00     0.20   0.34  -0.02
    25   1     0.16   0.25  -0.30    -0.00  -0.01   0.00    -0.19  -0.17   0.31
    26   1     0.01   0.00  -0.38     0.00   0.00   0.01    -0.00  -0.01   0.37
    27   1    -0.08   0.29  -0.26    -0.00  -0.01   0.00     0.14  -0.23   0.28
    28   1     0.03   0.00  -0.00    -0.04   0.01   0.04     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.01  -0.10  -0.08    -0.00  -0.00  -0.00
    30   1    -0.00   0.01   0.00     0.01  -0.05  -0.01    -0.00   0.00   0.00
    31   1    -0.00   0.01   0.02     0.06   0.25   0.52     0.00   0.00   0.00
    32   1    -0.01   0.01   0.01    -0.16   0.42   0.29    -0.00   0.00   0.00
    33   1     0.00   0.02   0.00     0.19   0.52   0.19     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.7849              1489.2183              1489.5912
 Red. masses --      2.4743                 1.0410                 1.0974
 Frc consts  --      3.1109                 1.3602                 1.4347
 IR Inten    --      9.2358                 2.7282                 3.3831
 RamAct Fr= 1--      0.2580                10.9677                15.2321
  Dep-P Fr= 1--      0.4845                 0.7499                 0.7277
  Dep-U Fr= 1--      0.6528                 0.8571                 0.8424
 Alpha2 Fr= 1--      0.0014                 0.0000                 0.0058
 Beta2  Fr= 1--      0.0281                 1.5667                 2.1386
 AlphaG Fr= 1--     -0.0296                -0.0015                 0.0072
 Gamma2 Fr= 1--     -0.4856                -0.0011                 0.3657
 Delta2 Fr= 1--      0.7097                 0.5816                -0.4402
 Raman1 Fr= 1--       1.032                 43.871                 60.928
 ROA1   Fr= 1--     -23.907                 18.506                 21.021
 CID1   Fr= 1--     -23.167                  0.422                  0.345
 Raman2 Fr= 1--       0.337                 18.800                 25.664
 ROA2   Fr= 1--     -17.333                 -4.679                 12.298
 CID2   Fr= 1--     -51.462                 -0.249                  0.479
 Raman3 Fr= 1--       0.674                 37.600                 51.327
 ROA3   Fr= 1--     -23.907                 18.506                 21.021
 CID3   Fr= 1--     -35.491                  0.492                  0.410
 RC180  Fr= 1--       0.306                  0.714                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.02   0.06     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.02   0.13  -0.07    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.13  -0.04  -0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.13  -0.07    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.13  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.13  -0.04  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.03   0.02     0.00   0.00   0.00    -0.05  -0.03  -0.06
     8   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.01   0.00   0.01
     9   6     0.00   0.01  -0.01    -0.04   0.00  -0.00     0.01   0.00   0.01
    10   6     0.00   0.01  -0.00     0.04  -0.00   0.00     0.01   0.01   0.01
    11   6    -0.04  -0.04   0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.27  -0.26   0.04    -0.01  -0.00   0.00    -0.02  -0.01   0.00
    16   1     0.23  -0.23   0.23     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.30  -0.28   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.21  -0.22   0.21     0.01  -0.01   0.00    -0.02   0.01  -0.01
    19   1    -0.21   0.03  -0.03    -0.01   0.01  -0.04     0.17  -0.16   0.59
    20   1     0.22  -0.01   0.01    -0.02  -0.03  -0.01     0.25   0.54   0.21
    21   1     0.00   0.02  -0.01    -0.01  -0.06   0.04     0.03  -0.02  -0.02
    22   1    -0.03  -0.03  -0.02     0.48  -0.11  -0.05    -0.07   0.07   0.04
    23   1    -0.03  -0.01   0.07     0.01   0.27  -0.17     0.08  -0.10  -0.08
    24   1     0.03   0.00   0.04     0.08  -0.23   0.30    -0.11   0.01  -0.15
    25   1     0.02  -0.07  -0.02     0.05   0.29  -0.12     0.09  -0.00  -0.14
    26   1     0.02  -0.00   0.04    -0.48   0.07   0.06    -0.14   0.02   0.09
    27   1    -0.04  -0.02  -0.03    -0.14  -0.35   0.03    -0.14  -0.16  -0.08
    28   1     0.34   0.08   0.06    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.08  -0.03  -0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    32   1     0.01  -0.07   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    33   1    -0.03  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2174              1497.4136              1498.9480
 Red. masses --      1.0466                 1.0567                 1.0549
 Frc consts  --      1.3731                 1.3960                 1.3964
 IR Inten    --      4.6715                 0.0938                 8.8653
 RamAct Fr= 1--      5.4930                 0.6546                 5.1473
  Dep-P Fr= 1--      0.6080                 0.7285                 0.6432
  Dep-U Fr= 1--      0.7562                 0.8429                 0.7829
 Alpha2 Fr= 1--      0.0144                 0.0002                 0.0099
 Beta2  Fr= 1--      0.6923                 0.0920                 0.6716
 AlphaG Fr= 1--     -0.0008                 0.0071                 0.0737
 Gamma2 Fr= 1--     -1.1962                -0.3680                 1.2248
 Delta2 Fr= 1--     -1.5459                -0.2559                 1.5732
 Raman1 Fr= 1--      21.972                  2.619                 20.589
 ROA1   Fr= 1--    -164.303                -43.523                167.919
 CID1   Fr= 1--      -7.478                -16.621                  8.156
 Raman2 Fr= 1--       8.307                  1.104                  8.059
 ROA2   Fr= 1--     -16.342                 -6.786                 16.808
 CID2   Fr= 1--      -1.967                 -6.149                  2.086
 Raman3 Fr= 1--      16.615                  2.207                 16.118
 ROA3   Fr= 1--    -164.303                -43.523                167.919
 CID3   Fr= 1--      -9.889                -19.719                 10.418
 RC180  Fr= 1--       0.512                  0.686                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.01  -0.00   0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.00  -0.00
     5   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.03  -0.02    -0.00  -0.00   0.00
     9   6     0.00  -0.00   0.00     0.01  -0.00  -0.04    -0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.03  -0.01   0.02
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.02  -0.01  -0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    16   1    -0.01   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.01
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.00
    18   1    -0.02   0.00  -0.01    -0.02   0.01  -0.01    -0.00  -0.01   0.00
    19   1     0.00  -0.00   0.01     0.05  -0.01  -0.02    -0.01   0.00   0.00
    20   1     0.00   0.01   0.00    -0.05   0.01   0.01     0.01  -0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.01  -0.07   0.04     0.00   0.01  -0.00
    22   1    -0.01   0.00   0.00    -0.13  -0.21  -0.13     0.01   0.02   0.01
    23   1     0.00  -0.01   0.00    -0.24   0.08   0.41     0.03  -0.01  -0.04
    24   1    -0.00   0.01  -0.01     0.28   0.09   0.28    -0.03  -0.01  -0.03
    25   1     0.00  -0.00  -0.00     0.21  -0.34  -0.27    -0.02   0.03   0.03
    26   1    -0.00   0.00   0.00     0.10  -0.03   0.26    -0.01   0.00  -0.03
    27   1    -0.00  -0.00  -0.00    -0.29  -0.14  -0.26     0.03   0.02   0.03
    28   1     0.04   0.05   0.03    -0.01  -0.01  -0.01     0.06  -0.04  -0.06
    29   6    -0.04   0.02  -0.03    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
    31   1     0.36  -0.09  -0.36     0.06   0.02   0.01     0.59   0.17   0.12
    32   1    -0.20   0.16   0.41     0.01   0.05  -0.04     0.13   0.51  -0.39
    33   1     0.47  -0.38   0.35    -0.02  -0.03  -0.02    -0.21  -0.28  -0.18
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.6307              1512.3877              1551.9464
 Red. masses --      1.0508                 1.0555                 2.4288
 Frc consts  --      1.4091                 1.4224                 3.4467
 IR Inten    --     11.7303                10.5501                22.5853
 RamAct Fr= 1--      1.6022                 3.8581                 0.7755
  Dep-P Fr= 1--      0.4063                 0.6792                 0.7196
  Dep-U Fr= 1--      0.5778                 0.8089                 0.8370
 Alpha2 Fr= 1--      0.0116                 0.0048                 0.0004
 Beta2  Fr= 1--      0.1543                 0.5202                 0.1082
 AlphaG Fr= 1--     -0.0078                -0.0034                 0.0024
 Gamma2 Fr= 1--     -0.0073                -0.0553                -0.3163
 Delta2 Fr= 1--     -0.0845                 0.0007                -0.1082
 Raman1 Fr= 1--       6.409                 15.432                  3.102
 ROA1   Fr= 1--      -3.405                 -5.283                -33.828
 CID1   Fr= 1--      -0.531                 -0.342                -10.905
 Raman2 Fr= 1--       1.851                  6.242                  1.298
 ROA2   Fr= 1--       0.501                 -1.332                 -6.726
 CID2   Fr= 1--       0.271                 -0.213                 -5.181
 Raman3 Fr= 1--       3.703                 12.484                  2.596
 ROA3   Fr= 1--      -3.405                 -5.283                -33.828
 CID3   Fr= 1--      -0.919                 -0.423                -13.030
 RC180  Fr= 1--       0.156                  0.618                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.02
     2   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.15   0.01   0.05
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.08  -0.08
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.15   0.01   0.05
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.08  -0.08
     7   6    -0.01  -0.01  -0.03    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01
     8   6    -0.02  -0.00  -0.01     0.03  -0.02  -0.03    -0.00   0.00   0.01
     9   6    -0.02   0.01  -0.02     0.02   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.03  -0.02  -0.00     0.02  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    13   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00     0.02   0.00  -0.01     0.42   0.18   0.06
    16   1     0.01  -0.00   0.01     0.01  -0.00   0.00     0.40  -0.14   0.25
    17   1     0.01   0.00   0.00     0.01   0.00   0.00     0.40   0.18   0.06
    18   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.37  -0.13   0.21
    19   1     0.04  -0.06   0.26     0.01  -0.01   0.08    -0.03   0.00  -0.03
    20   1     0.08   0.24   0.10     0.02   0.07   0.03    -0.03  -0.02  -0.02
    21   1    -0.01  -0.03  -0.05    -0.03   0.04   0.06     0.02  -0.02  -0.04
    22   1     0.32  -0.21  -0.12    -0.36  -0.14  -0.10    -0.01   0.02   0.01
    23   1    -0.10   0.24   0.06    -0.20  -0.11   0.43     0.01  -0.01  -0.02
    24   1     0.18  -0.17   0.38     0.19   0.21   0.08    -0.02  -0.00  -0.02
    25   1    -0.13  -0.06   0.22    -0.13   0.45   0.13     0.01  -0.01  -0.01
    26   1     0.33  -0.05  -0.20    -0.34   0.06  -0.21    -0.01   0.00   0.02
    27   1     0.24   0.36   0.09     0.16  -0.07   0.24    -0.02  -0.01  -0.02
    28   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    31   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.04  -0.00  -0.02
    32   1    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.02   0.04   0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.4647              1658.2126              1805.7505
 Red. masses --      5.9912                 5.7772                 9.5433
 Frc consts  --      9.2349                 9.3594                18.3343
 IR Inten    --      0.1330                 1.1490               270.6210
 RamAct Fr= 1--      1.9468               108.4685                12.4138
  Dep-P Fr= 1--      0.7078                 0.4904                 0.1976
  Dep-U Fr= 1--      0.8289                 0.6581                 0.3300
 Alpha2 Fr= 1--      0.0014                 0.5597                 0.1697
 Beta2  Fr= 1--      0.2689                11.8972                 0.6828
 AlphaG Fr= 1--      0.0236                 0.0761                -0.3252
 Gamma2 Fr= 1--      0.2908                 3.6949                -0.9304
 Delta2 Fr= 1--     -0.0146                 0.5204                 0.9277
 Raman1 Fr= 1--       7.787                433.874                 49.655
 ROA1   Fr= 1--      27.447                371.365                -59.629
 CID1   Fr= 1--       3.525                  0.856                 -1.201
 Raman2 Fr= 1--       3.227                142.767                  8.193
 ROA2   Fr= 1--       7.095                 84.515                -29.750
 CID2   Fr= 1--       2.199                  0.592                 -3.631
 Raman3 Fr= 1--       6.455                285.533                 16.386
 ROA3   Fr= 1--      27.447                371.365                -59.629
 CID3   Fr= 1--       4.252                  1.301                 -3.639
 RC180  Fr= 1--       0.658                  0.316                 -0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.18  -0.07     0.28   0.09   0.06    -0.01  -0.01   0.00
     2   6    -0.03  -0.30   0.16    -0.20  -0.01  -0.07     0.00   0.00  -0.00
     3   6     0.07  -0.17   0.13    -0.26   0.05  -0.13     0.01   0.00   0.00
     4   6     0.04   0.31  -0.16     0.18   0.02   0.06    -0.02  -0.01  -0.01
     5   6    -0.11  -0.19   0.07    -0.27  -0.09  -0.06     0.01   0.01   0.00
     6   6    -0.08   0.18  -0.13     0.26  -0.05   0.13    -0.01  -0.00  -0.00
     7   6     0.00   0.03  -0.02     0.03   0.00   0.01    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.04   0.02    -0.02  -0.00  -0.01    -0.02  -0.04   0.04
    12   6     0.00   0.00  -0.01    -0.00   0.02   0.00     0.27   0.57  -0.32
    13   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.38   0.18
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.02
    15   1    -0.28  -0.03  -0.09    -0.29  -0.24   0.03     0.01   0.01   0.00
    16   1    -0.28  -0.02  -0.11     0.25  -0.21   0.23     0.03  -0.01  -0.01
    17   1     0.29   0.03   0.10     0.27   0.22  -0.02    -0.02  -0.01   0.00
    18   1     0.30   0.01   0.11    -0.24   0.20  -0.20     0.00  -0.01   0.01
    19   1     0.20  -0.03   0.04     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1    -0.21  -0.01  -0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1    -0.00  -0.01   0.01    -0.01   0.02   0.03     0.00  -0.00  -0.00
    22   1     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.01  -0.00   0.01     0.01   0.01   0.01     0.00  -0.00   0.00
    25   1     0.01  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.01   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
    27   1    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    28   1     0.27   0.06   0.06    -0.02   0.00   0.01    -0.18   0.00   0.15
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    30   1    -0.00   0.02   0.00     0.00   0.01   0.00    -0.05   0.46   0.08
    31   1     0.01   0.01   0.02     0.02   0.00   0.00     0.04   0.00  -0.05
    32   1     0.01   0.01  -0.02    -0.01   0.02   0.02     0.03   0.01  -0.03
    33   1    -0.02  -0.00  -0.01     0.02   0.00   0.01    -0.02  -0.11  -0.04
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8966              3025.8887              3027.4261
 Red. masses --      1.0816                 1.0345                 1.0482
 Frc consts  --      5.7464                 5.5808                 5.6602
 IR Inten    --     21.4644                34.6048                41.8840
 RamAct Fr= 1--    147.7514                14.6135                60.1900
  Dep-P Fr= 1--      0.4653                 0.6826                 0.5335
  Dep-U Fr= 1--      0.6351                 0.8113                 0.6958
 Alpha2 Fr= 1--      0.8506                 0.0174                 0.2518
 Beta2  Fr= 1--     15.6395                 1.9761                 6.9801
 AlphaG Fr= 1--     -0.0046                -0.0058                 0.1116
 Gamma2 Fr= 1--     -0.6313                 1.2080                -2.9276
 Delta2 Fr= 1--      1.0658                -0.9228                 0.6731
 Raman1 Fr= 1--     591.006                 58.454                240.760
 ROA1   Fr= 1--     -26.493                 86.444               -259.510
 CID1   Fr= 1--      -0.045                  1.479                 -1.078
 Raman2 Fr= 1--     187.674                 23.713                 83.761
 ROA2   Fr= 1--     -23.677                 36.375                -75.648
 CID2   Fr= 1--      -0.126                  1.534                 -0.903
 Raman3 Fr= 1--     375.347                 47.426                167.522
 ROA3   Fr= 1--     -26.493                 86.444               -259.510
 CID3   Fr= 1--      -0.071                  1.823                 -1.549
 RC180  Fr= 1--       0.270                  0.623                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.04
     8   6    -0.07  -0.01  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.01
     9   6     0.01  -0.00   0.00    -0.00  -0.03  -0.00    -0.00  -0.03   0.00
    10   6     0.01   0.00   0.00    -0.00  -0.02   0.03     0.00   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    19   1    -0.05  -0.18  -0.02    -0.01  -0.04  -0.01     0.12   0.47   0.05
    20   1    -0.01   0.09  -0.16    -0.00   0.01  -0.02     0.04  -0.23   0.43
    21   1     0.84   0.13   0.43    -0.01  -0.00  -0.00     0.14   0.02   0.07
    22   1     0.00   0.02  -0.05     0.00   0.18  -0.36     0.00   0.17  -0.33
    23   1    -0.07  -0.01  -0.04     0.31   0.06   0.16     0.24   0.05   0.13
    24   1    -0.04   0.02   0.03    -0.27   0.14   0.20    -0.23   0.12   0.17
    25   1    -0.07  -0.01  -0.04    -0.35  -0.06  -0.19     0.17   0.03   0.10
    26   1    -0.00  -0.05  -0.01     0.08   0.47   0.06    -0.05  -0.29  -0.04
    27   1    -0.04   0.02   0.03     0.32  -0.17  -0.23    -0.18   0.10   0.13
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9051              3047.1764              3063.7496
 Red. masses --      1.0481                 1.0355                 1.1040
 Frc consts  --      5.6801                 5.6651                 6.1053
 IR Inten    --     18.5549                23.3992                17.9578
 RamAct Fr= 1--    551.0736               218.7446                58.0558
  Dep-P Fr= 1--      0.0104                 0.0627                 0.7499
  Dep-U Fr= 1--      0.0206                 0.1180                 0.8570
 Alpha2 Fr= 1--     11.9516                 4.1920                 0.0001
 Beta2  Fr= 1--      1.8932                 4.3009                 8.2928
 AlphaG Fr= 1--     -0.2698                -0.3293                 0.0129
 Gamma2 Fr= 1--     -0.3718                -0.2539                -0.8695
 Delta2 Fr= 1--      0.4225                 3.6847                -1.3608
 Raman1 Fr= 1--    2204.294                874.978                232.223
 ROA1   Fr= 1--     -22.170                 93.532               -127.021
 CID1   Fr= 1--      -0.010                  0.107                 -0.547
 Raman2 Fr= 1--      22.719                 51.610                 99.513
 ROA2   Fr= 1--     -12.303                -35.572                 -9.982
 CID2   Fr= 1--      -0.542                 -0.689                 -0.100
 Raman3 Fr= 1--      45.438                103.221                199.027
 ROA3   Fr= 1--     -22.170                 93.532               -127.021
 CID3   Fr= 1--      -0.488                  0.906                 -0.638
 RC180  Fr= 1--      -0.959                 -0.764                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02  -0.04     0.00   0.00   0.00    -0.01  -0.08   0.04
     8   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    10   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    16   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    19   1     0.11   0.45   0.05    -0.00  -0.00  -0.00     0.17   0.67   0.10
    20   1     0.03  -0.22   0.41    -0.00   0.00  -0.00    -0.05   0.31  -0.63
    21   1     0.16   0.02   0.08    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.14   0.28     0.00   0.00  -0.00    -0.00  -0.02   0.04
    23   1    -0.27  -0.05  -0.14     0.00   0.00   0.00     0.03   0.01   0.01
    24   1     0.21  -0.11  -0.15    -0.00   0.00   0.00    -0.03   0.02   0.02
    25   1    -0.26  -0.04  -0.14     0.00   0.00   0.00    -0.03  -0.00  -0.02
    26   1     0.05   0.29   0.03    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
    27   1     0.20  -0.10  -0.14    -0.00  -0.00  -0.00     0.03  -0.01  -0.02
    28   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.09   0.39  -0.22     0.00  -0.00  -0.00
    32   1     0.01   0.00   0.00     0.63   0.01   0.24     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.38  -0.07   0.43    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7138              3085.7857              3088.3421
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0223                 6.1825                 6.1862
 IR Inten    --      6.9601                15.1808                50.7954
 RamAct Fr= 1--     69.8690                42.1972               147.2916
  Dep-P Fr= 1--      0.2072                 0.7491                 0.6951
  Dep-U Fr= 1--      0.3433                 0.8566                 0.8201
 Alpha2 Fr= 1--      0.9308                 0.0006                 0.1413
 Beta2  Fr= 1--      3.9976                 6.0241                20.1331
 AlphaG Fr= 1--     -0.4302                -0.0564                 0.1198
 Gamma2 Fr= 1--     -4.0109                 0.4542                 4.3739
 Delta2 Fr= 1--     -1.8090                -1.0978                 4.7657
 Raman1 Fr= 1--     279.476                168.789                589.166
 ROA1   Fr= 1--    -442.930                  8.478                572.399
 CID1   Fr= 1--      -1.585                  0.050                  0.972
 Raman2 Fr= 1--      47.971                 72.289                241.597
 ROA2   Fr= 1--     -81.789                 19.684                 66.848
 CID2   Fr= 1--      -1.705                  0.272                  0.277
 Raman3 Fr= 1--      95.941                144.578                483.194
 ROA3   Fr= 1--    -442.930                  8.478                572.399
 CID3   Fr= 1--      -4.617                  0.059                  1.185
 RC180  Fr= 1--      -0.313                  0.713                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.03  -0.00   0.05     0.02   0.00  -0.06
    10   6     0.00   0.00   0.00     0.02  -0.06  -0.03     0.01  -0.05  -0.03
    11   6     0.02  -0.07   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.01   0.06   0.01     0.00   0.01   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.03  -0.06     0.00  -0.01   0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    22   1     0.00  -0.00   0.00    -0.00   0.21  -0.40     0.00  -0.25   0.47
    23   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.10   0.02   0.03
    24   1    -0.00   0.00   0.00     0.35  -0.18  -0.25    -0.39   0.21   0.28
    25   1    -0.00  -0.00  -0.00     0.06  -0.01   0.02     0.13   0.01   0.07
    26   1     0.00  -0.00   0.00     0.09   0.51   0.05     0.08   0.47   0.05
    27   1     0.00  -0.00  -0.00    -0.40   0.20   0.29    -0.32   0.15   0.23
    28   1    -0.21   0.84  -0.46    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.14   0.08     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.04   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.4875              3096.7217              3110.8035
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2036                 6.2195                 6.2850
 IR Inten    --      7.4386                77.7085                27.5036
 RamAct Fr= 1--     13.4391                70.1933               109.4123
  Dep-P Fr= 1--      0.7415                 0.4808                 0.6737
  Dep-U Fr= 1--      0.8516                 0.6494                 0.8051
 Alpha2 Fr= 1--      0.0019                 0.3781                 0.1477
 Beta2  Fr= 1--      1.9074                 7.5969                14.6807
 AlphaG Fr= 1--      0.0511                 0.0161                 0.0723
 Gamma2 Fr= 1--     -4.7526                 2.0709                -2.1319
 Delta2 Fr= 1--     -0.9747                -1.5350                -4.3602
 Raman1 Fr= 1--      53.756                280.773                437.649
 ROA1   Fr= 1--    -487.442                149.688               -344.193
 CID1   Fr= 1--      -9.068                  0.533                 -0.786
 Raman2 Fr= 1--      22.888                 91.163                176.168
 ROA2   Fr= 1--    -106.266                 61.982                -16.285
 CID2   Fr= 1--      -4.643                  0.680                 -0.092
 Raman3 Fr= 1--      45.777                182.325                352.337
 ROA3   Fr= 1--    -487.442                149.688               -344.193
 CID3   Fr= 1--     -10.648                  0.821                 -0.977
 RC180  Fr= 1--       0.703                  0.299                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
     9   6     0.06  -0.01   0.03    -0.06   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.06  -0.01  -0.01    -0.06  -0.01  -0.01     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    19   1     0.01   0.03   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.02    -0.00   0.00  -0.00
    21   1     0.01  -0.00   0.00     0.15   0.02   0.07    -0.00  -0.00  -0.00
    22   1     0.02   0.12  -0.23    -0.01  -0.09   0.17     0.00   0.00  -0.00
    23   1    -0.50  -0.11  -0.26     0.52   0.12   0.28    -0.00  -0.00  -0.00
    24   1    -0.18   0.10   0.15     0.26  -0.14  -0.21    -0.00   0.00   0.00
    25   1     0.52   0.08   0.30     0.47   0.07   0.27    -0.00  -0.00  -0.00
    26   1     0.02   0.23   0.02     0.02   0.17   0.02    -0.00  -0.00  -0.00
    27   1     0.23  -0.13  -0.19     0.24  -0.14  -0.20    -0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.02
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.01   0.01
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.17   0.09
    32   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.65   0.02   0.26
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.43   0.08  -0.52
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.7281              3161.7791              3167.2220
 Red. masses --      1.1014                 1.0867                 1.0872
 Frc consts  --      6.3561                 6.4009                 6.4254
 IR Inten    --     12.5854                11.0243                 8.4974
 RamAct Fr= 1--     28.1640                51.7988                56.0815
  Dep-P Fr= 1--      0.6605                 0.7290                 0.6439
  Dep-U Fr= 1--      0.7956                 0.8433                 0.7834
 Alpha2 Fr= 1--      0.0450                 0.0186                 0.1072
 Beta2  Fr= 1--      3.7343                 7.2803                 7.3224
 AlphaG Fr= 1--     -0.0087                 0.0002                 0.2169
 Gamma2 Fr= 1--      0.6481                -5.9224                 5.0071
 Delta2 Fr= 1--      2.1623                 0.9330                 2.1641
 Raman1 Fr= 1--     112.656                207.195                224.326
 ROA1   Fr= 1--     131.409               -538.692                549.937
 CID1   Fr= 1--       1.166                 -2.600                  2.452
 Raman2 Fr= 1--      44.812                 87.363                 87.869
 ROA2   Fr= 1--      -1.744               -149.601                102.859
 CID2   Fr= 1--      -0.039                 -1.712                  1.171
 Raman3 Fr= 1--      89.624                174.726                175.738
 ROA3   Fr= 1--     131.409               -538.692                549.937
 CID3   Fr= 1--       1.466                 -3.083                  3.129
 RC180  Fr= 1--       0.591                  0.687                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.04
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.02  -0.05   0.04    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.03   0.04  -0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.01    -0.02   0.04  -0.03    -0.31   0.61  -0.49
    16   1    -0.02  -0.03   0.01    -0.02  -0.03   0.01    -0.28  -0.41   0.13
    17   1     0.01  -0.01   0.01    -0.29   0.56  -0.43     0.01  -0.01   0.01
    18   1     0.00   0.00  -0.00    -0.35  -0.51   0.15     0.04   0.06  -0.02
    19   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.03   0.14  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    29   6     0.00  -0.06   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   1    -0.16   0.74  -0.39    -0.00   0.01  -0.00     0.00  -0.02   0.01
    32   1    -0.18  -0.02  -0.06    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1     0.30   0.04  -0.33     0.00  -0.00  -0.00    -0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7930              3185.4181              3723.5538
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5107                 6.5387                 8.6912
 IR Inten    --     18.0639                 3.2051                65.9155
 RamAct Fr= 1--     99.4017               144.4295               125.2089
  Dep-P Fr= 1--      0.1418                 0.1251                 0.2422
  Dep-U Fr= 1--      0.2484                 0.2224                 0.3899
 Alpha2 Fr= 1--      1.5688                 2.3767                 1.5166
 Beta2  Fr= 1--      4.1152                 5.3543                 8.1371
 AlphaG Fr= 1--     -1.2144                 0.3353                -0.3264
 Gamma2 Fr= 1--     -7.7076                 5.7986                -5.3421
 Delta2 Fr= 1--     -2.1712                 0.6337                 0.0919
 Raman1 Fr= 1--     397.607                577.718                500.836
 ROA1   Fr= 1--    -809.411                576.940               -509.903
 CID1   Fr= 1--      -2.036                  0.999                 -1.018
 Raman2 Fr= 1--      49.383                 64.252                 97.645
 ROA2   Fr= 1--    -167.614                134.096               -128.946
 CID2   Fr= 1--      -3.394                  2.087                 -1.321
 Raman3 Fr= 1--      98.765                128.504                195.290
 ROA3   Fr= 1--    -809.411                576.940               -509.903
 CID3   Fr= 1--      -8.195                  4.490                 -2.611
 RC180  Fr= 1--      -0.503                 -0.555                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02  -0.03   0.03     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.01   0.00    -0.04  -0.06   0.02    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.02  -0.04   0.03    -0.00   0.01  -0.01     0.00   0.00   0.00
     6   6    -0.04  -0.05   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.01  -0.05
    15   1    -0.02   0.04  -0.03    -0.19   0.37  -0.30    -0.00   0.00  -0.00
    16   1     0.10   0.14  -0.04     0.46   0.66  -0.21     0.00  -0.00   0.00
    17   1    -0.24   0.46  -0.35     0.04  -0.08   0.06     0.00  -0.00   0.00
    18   1     0.41   0.60  -0.18    -0.08  -0.11   0.03    -0.00  -0.00   0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.58  -0.14   0.80
    31   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1287.498276738.777736840.31589
           X            0.99998  -0.00191   0.00550
           Y            0.00191   1.00000   0.00032
           Z           -0.00550  -0.00031   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06727     0.01285     0.01266
 Rotational constants (GHZ):           1.40174     0.26781     0.26384
 Zero-point vibrational energy     746965.1 (Joules/Mol)
                                  178.52894 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.05    56.07    71.41    81.13   124.06
          (Kelvin)            147.50   248.99   303.14   322.84   345.30
                              355.50   384.71   403.39   487.83   512.91
                              561.35   584.57   607.33   608.42   722.87
                              745.53   860.32   903.55   923.38   957.79
                             1012.13  1107.06  1119.97  1177.83  1206.60
                             1226.39  1233.06  1255.41  1295.57  1356.12
                             1378.65  1395.23  1400.98  1413.23  1459.79
                             1506.26  1559.31  1575.47  1588.17  1597.25
                             1649.11  1671.66  1730.58  1745.42  1760.32
                             1779.02  1790.62  1842.33  1883.94  1884.93
                             1941.79  1965.66  1978.77  1997.10  2003.66
                             2021.60  2037.17  2049.91  2101.74  2142.65
                             2143.19  2146.97  2154.44  2156.65  2170.58
                             2175.99  2232.90  2327.17  2385.80  2598.07
                             4320.50  4353.58  4355.79  4363.67  4384.21
                             4408.05  4418.07  4439.76  4443.44  4447.96
                             4455.49  4475.75  4502.98  4549.09  4556.93
                             4573.57  4583.11  5357.36
 
 Zero-point correction=                           0.284504 (Hartree/Particle)
 Thermal correction to Energy=                    0.300043
 Thermal correction to Enthalpy=                  0.300987
 Thermal correction to Gibbs Free Energy=         0.240275
 Sum of electronic and zero-point Energies=           -656.739092
 Sum of electronic and thermal Energies=              -656.723554
 Sum of electronic and thermal Enthalpies=            -656.722610
 Sum of electronic and thermal Free Energies=         -656.783321
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.280             58.568            127.778
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.451
 Vibrational            186.502             52.607             53.453
 Vibration     1          0.593              1.985              6.242
 Vibration     2          0.594              1.981              5.311
 Vibration     3          0.595              1.978              4.832
 Vibration     4          0.596              1.975              4.580
 Vibration     5          0.601              1.959              3.744
 Vibration     6          0.605              1.947              3.406
 Vibration     7          0.627              1.876              2.402
 Vibration     8          0.643              1.825              2.038
 Vibration     9          0.649              1.804              1.923
 Vibration    10          0.657              1.779              1.803
 Vibration    11          0.661              1.768              1.751
 Vibration    12          0.672              1.733              1.613
 Vibration    13          0.680              1.710              1.531
 Vibration    14          0.719              1.597              1.217
 Vibration    15          0.732              1.562              1.137
 Vibration    16          0.758              1.491              1.000
 Vibration    17          0.771              1.457              0.940
 Vibration    18          0.784              1.422              0.885
 Vibration    19          0.785              1.421              0.882
 Vibration    20          0.858              1.245              0.652
 Vibration    21          0.873              1.210              0.614
 Vibration    22          0.956              1.036              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.302725-110       -110.518952       -254.479292
 Total V=0       0.220635D+21         20.343674         46.843039
 Vib (Bot)       0.943697-125       -125.025168       -287.881087
 Vib (Bot)    1  0.850060D+01          0.929450          2.140137
 Vib (Bot)    2  0.530971D+01          0.725071          1.669537
 Vib (Bot)    3  0.416508D+01          0.619623          1.426734
 Vib (Bot)    4  0.366352D+01          0.563898          1.298423
 Vib (Bot)    5  0.238606D+01          0.377682          0.869644
 Vib (Bot)    6  0.200086D+01          0.301216          0.693575
 Vib (Bot)    7  0.116335D+01          0.065711          0.151306
 Vib (Bot)    8  0.942423D+00         -0.025754         -0.059301
 Vib (Bot)    9  0.879904D+00         -0.055565         -0.127942
 Vib (Bot)   10  0.817028D+00         -0.087763         -0.202082
 Vib (Bot)   11  0.790975D+00         -0.101837         -0.234489
 Vib (Bot)   12  0.723730D+00         -0.140424         -0.323337
 Vib (Bot)   13  0.685613D+00         -0.163921         -0.377442
 Vib (Bot)   14  0.547971D+00         -0.261242         -0.601532
 Vib (Bot)   15  0.515347D+00         -0.287901         -0.662916
 Vib (Bot)   16  0.460102D+00         -0.337146         -0.776308
 Vib (Bot)   17  0.436652D+00         -0.359865         -0.828620
 Vib (Bot)   18  0.415297D+00         -0.381641         -0.878761
 Vib (Bot)   19  0.414315D+00         -0.382669         -0.881128
 Vib (Bot)   20  0.326421D+00         -0.486221         -1.119566
 Vib (Bot)   21  0.312031D+00         -0.505802         -1.164653
 Vib (Bot)   22  0.250244D+00         -0.601636         -1.385319
 Vib (V=0)       0.687794D+06          5.837458         13.441244
 Vib (V=0)    1  0.901529D+01          0.954980          2.198922
 Vib (V=0)    2  0.583320D+01          0.765907          1.763565
 Vib (V=0)    3  0.469498D+01          0.671634          1.546494
 Vib (V=0)    4  0.419748D+01          0.622988          1.434484
 Vib (V=0)    5  0.293789D+01          0.468035          1.077691
 Vib (V=0)    6  0.256238D+01          0.408644          0.940937
 Vib (V=0)    7  0.176625D+01          0.247052          0.568858
 Vib (V=0)    8  0.156685D+01          0.195027          0.449065
 Vib (V=0)    9  0.151204D+01          0.179564          0.413462
 Vib (V=0)   10  0.145788D+01          0.163722          0.376984
 Vib (V=0)   11  0.143576D+01          0.157081          0.361692
 Vib (V=0)   12  0.137965D+01          0.139769          0.321830
 Vib (V=0)   13  0.134857D+01          0.129872          0.299042
 Vib (V=0)   14  0.124180D+01          0.094053          0.216565
 Vib (V=0)   15  0.121804D+01          0.085662          0.197243
 Vib (V=0)   16  0.117948D+01          0.071691          0.165074
 Vib (V=0)   17  0.116383D+01          0.065888          0.151713
 Vib (V=0)   18  0.114998D+01          0.060690          0.139743
 Vib (V=0)   19  0.114935D+01          0.060453          0.139198
 Vib (V=0)   20  0.109712D+01          0.040254          0.092688
 Vib (V=0)   21  0.108938D+01          0.037178          0.085605
 Vib (V=0)   22  0.105913D+01          0.024948          0.057444
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.275770D+07          6.440548         14.829909
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655544433322222211     
     2        87663199887643220                           051510999986210987651084321064109841877540755317606429102209538644217085532
     4        59720171861473763                           687229972091565385600905633326045475240830372998936288823260690770413366094
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXX                     
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                   X                     
     X              X                                     X                           X                        X                     
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001178    0.000001280   -0.000000052
      2        6          -0.000001173    0.000000552    0.000000244
      3        6          -0.000000695   -0.000000641   -0.000002328
      4        6           0.000006063    0.000003035    0.000003642
      5        6          -0.000004768    0.000000520    0.000001781
      6        6           0.000003605   -0.000000223    0.000000922
      7        6          -0.000000279   -0.000000691    0.000002011
      8        6           0.000002423    0.000001264   -0.000001038
      9        6          -0.000001382   -0.000003848   -0.000000662
     10        6           0.000000641   -0.000000141   -0.000002315
     11        6          -0.000006060   -0.000004646   -0.000007542
     12        6           0.000000251   -0.000001668    0.000003198
     13        8           0.000000828    0.000001403   -0.000000760
     14        8           0.000000220    0.000002144    0.000001309
     15        1           0.000000913   -0.000001477   -0.000000384
     16        1           0.000000636   -0.000000121    0.000000020
     17        1           0.000000925   -0.000000300    0.000000159
     18        1          -0.000000870   -0.000000548    0.000000174
     19        1           0.000000350   -0.000000158    0.000000025
     20        1           0.000000335   -0.000000978   -0.000001909
     21        1          -0.000000210    0.000000238    0.000000607
     22        1           0.000000739    0.000000270   -0.000000704
     23        1          -0.000000254    0.000001292   -0.000000263
     24        1          -0.000000369    0.000000341   -0.000000512
     25        1          -0.000000680   -0.000000283    0.000000673
     26        1           0.000000238    0.000000085    0.000000080
     27        1          -0.000000070    0.000000076    0.000000447
     28        1           0.000000639   -0.000000423    0.000000682
     29        6          -0.000001262    0.000004214    0.000003095
     30        1           0.000000909   -0.000000468    0.000000046
     31        1          -0.000001047   -0.000000100   -0.000000501
     32        1           0.000000423    0.000000418   -0.000000173
     33        1           0.000000160   -0.000000422    0.000000027
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007542 RMS     0.000001834
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.212576D+03  0.612240D+01  0.767583D+01
      2   0.612240D+01  0.154918D+03 -0.872418D+01
      3   0.767583D+01 -0.872418D+01  0.140064D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.670688D+01  0.486126D+01 -0.720900D+00
      2  -0.106401D+02  0.909250D+01 -0.530795D+02
      3  -0.343920D+02  0.528539D+02 -0.171194D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.202811D+03  0.220011D+02 -0.418002D+02
      2   0.897275D+02 -0.237080D+02 -0.454555D+01
      3   0.113083D+03  0.170691D+01  0.463458D+02
      4   0.316786D+02 -0.114536D+03  0.256336D+02
      5   0.199114D+02  0.286723D+02 -0.102700D+03
      6   0.533720D+01  0.236703D+02  0.278068D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.824366D+01  0.132587D+01  0.235778D+01  0.111112D+02 -0.292653D+00
      2   0.132587D+01 -0.184456D+01 -0.111453D+00 -0.292653D+00  0.213716D+01
      3   0.235778D+01 -0.111453D+00  0.322480D+00  0.115857D+01  0.942137D+00
                 6             7             8             9            10 
      1   0.115857D+01 -0.689455D+00 -0.179891D+01  0.172305D+00 -0.275699D+02
      2   0.942137D+00 -0.179891D+01  0.854809D+00  0.531231D+00  0.631908D-01
      3  -0.524461D+00  0.172305D+00  0.531231D+00 -0.403226D+01 -0.335942D+01
                11            12            13            14            15 
      1   0.631908D-01 -0.335942D+01  0.169136D+00 -0.143410D+01 -0.167364D+01
      2  -0.257793D+01  0.693438D+00 -0.143410D+01 -0.167779D+01 -0.326200D+00
      3   0.693438D+00 -0.201153D+01 -0.167364D+01 -0.326200D+00 -0.109131D+01
                16            17            18            19            20 
      1  -0.650781D+01 -0.165521D+01 -0.407212D+01 -0.613462D+01 -0.636355D+00
      2  -0.165521D+01 -0.871832D+00 -0.588348D+00 -0.636355D+00  0.733511D+00
      3  -0.407212D+01 -0.588348D+00 -0.300202D+01 -0.256400D+01 -0.128375D+01
                21            22            23            24            25 
      1  -0.256400D+01  0.875748D+01  0.361971D+00  0.268091D+01 -0.870317D+01
      2  -0.128375D+01  0.361971D+00  0.286283D+01  0.123906D+01 -0.712346D+00
      3   0.240128D+01  0.268091D+01  0.123906D+01  0.895488D+00 -0.483153D+00
                26            27            28            29            30 
      1  -0.712346D+00 -0.483153D+00  0.234089D+02  0.143704D+01  0.438501D+01
      2   0.177696D+01  0.848186D+00  0.143704D+01  0.233307D+01 -0.250833D-01
      3   0.848186D+00 -0.178611D+01  0.438501D+01 -0.250833D-01  0.280833D+01
                31            32            33            34            35 
      1   0.111077D+01  0.114511D+01  0.163800D+01  0.404061D+01  0.196610D+01
      2   0.114511D+01 -0.672579D+00  0.649166D+00  0.196610D+01  0.210493D+01
      3   0.163800D+01  0.649166D+00  0.202603D+01  0.497454D+01  0.723205D+00
                36            37            38            39            40 
      1   0.497454D+01 -0.958585D+01 -0.133551D+01 -0.293278D+01 -0.117104D+02
      2   0.723205D+00 -0.133551D+01  0.360244D+01  0.141011D+00 -0.866051D+00
      3   0.221858D+01 -0.293278D+01  0.141011D+00 -0.583458D+00 -0.106785D+01
                41            42            43            44            45 
      1  -0.866051D+00 -0.106785D+01  0.706274D+00  0.186384D+01  0.316448D+00
      2  -0.157710D+01 -0.148761D+01  0.186384D+01 -0.866706D+00 -0.919479D+00
      3  -0.148761D+01 -0.175350D+00  0.316448D+00 -0.919479D+00  0.416312D+01
                46            47            48            49            50 
      1   0.711845D+01  0.589552D+00  0.270770D+01 -0.780766D+01  0.929868D+00
      2   0.589552D+00 -0.185705D+01  0.136845D+01  0.929868D+00 -0.207829D+01
      3   0.270770D+01  0.136845D+01 -0.197447D+01 -0.246992D+01 -0.128679D+01
                51            52            53            54            55 
      1  -0.246992D+01  0.104201D+02  0.355477D+00 -0.126603D+00  0.157409D+02
      2  -0.128679D+01  0.355477D+00 -0.339449D+01 -0.120355D+01 -0.173103D+01
      3  -0.113978D+01 -0.126603D+00 -0.120355D+01  0.137168D+01 -0.135312D+01
                56            57            58            59            60 
      1  -0.173103D+01 -0.135312D+01 -0.407591D+01  0.372306D+01  0.141575D+01
      2   0.213399D+01  0.103989D+01  0.372306D+01  0.504774D+01  0.231867D+01
      3   0.103989D+01  0.163417D+01  0.141575D+01  0.231867D+01 -0.288922D+01
                61            62            63            64            65 
      1  -0.513821D+01  0.163625D+01  0.357305D+01 -0.833666D+00  0.324778D+01
      2   0.163625D+01  0.778374D+00 -0.219846D+01  0.324778D+01 -0.146455D+01
      3   0.357305D+01 -0.219846D+01  0.485075D+01  0.605781D+01 -0.837165D+00
                66            67            68            69            70 
      1   0.605781D+01  0.759766D+01 -0.128035D+01 -0.104867D+01  0.136180D+02
      2  -0.837165D+00 -0.128035D+01 -0.509572D+01 -0.772274D+00 -0.180979D+01
      3   0.245824D+00 -0.104867D+01 -0.772274D+00  0.357741D+01  0.592951D+00
                71            72            73            74            75 
      1  -0.180979D+01  0.592951D+00  0.238328D+00 -0.350541D+01 -0.487278D+01
      2  -0.112787D+01  0.375493D+01 -0.350541D+01  0.209099D+01  0.138246D+01
      3   0.375493D+01 -0.165288D+01 -0.487278D+01  0.138246D+01  0.247626D+00
                76            77            78            79            80 
      1  -0.395416D+01  0.106251D+01  0.845630D+00 -0.650440D+01  0.164845D+01
      2   0.106251D+01  0.309384D+01  0.959486D+00  0.164845D+01  0.141290D+01
      3   0.845630D+00  0.959486D+00 -0.353500D+01  0.818882D+00 -0.462929D+01
                81            82            83            84            85 
      1   0.818882D+00  0.521768D+00 -0.215313D+01 -0.552472D+01 -0.338247D+01
      2  -0.462929D+01 -0.215313D+01  0.137247D+01  0.877931D+00  0.189911D+01
      3   0.278448D+01 -0.552472D+01  0.877931D+00  0.105176D+01  0.188129D+01
                86            87            88            89            90 
      1   0.189911D+01  0.188129D+01 -0.668206D+01  0.153750D+01  0.336760D+00
      2   0.667143D+01  0.265881D+00  0.153750D+01  0.142770D+01 -0.304783D+01
      3   0.265881D+00 -0.319736D+01  0.336760D+00 -0.304783D+01  0.702828D+00
                91            92            93            94            95 
      1  -0.316280D+01  0.888579D+00  0.697185D+00 -0.179876D+01 -0.246850D+01
      2   0.888579D+00 -0.127427D+01 -0.435492D+00 -0.246850D+01  0.170453D+01
      3   0.697185D+00 -0.435492D+00 -0.227012D+01 -0.185420D+01 -0.423375D+01
                96            97            98            99           100 
      1  -0.185420D+01  0.416122D+01 -0.133761D+01 -0.504903D+01 -0.112844D+01
      2  -0.423375D+01 -0.133761D+01 -0.336093D+01 -0.570763D+00 -0.195428D+01
      3  -0.235474D+01 -0.504903D+01 -0.570763D+00 -0.737332D+00 -0.383451D+00
               101           102           103           104           105 
      1  -0.195428D+01 -0.383451D+00 -0.349452D+01 -0.181041D+01  0.164614D+01
      2  -0.821801D+00  0.233166D+00 -0.181041D+01 -0.255982D+01  0.235849D+01
      3   0.233166D+00  0.162572D+01  0.164614D+01  0.235849D+01 -0.104955D+01
               106           107           108           109           110 
      1  -0.794051D+00  0.951465D+00  0.161675D+01  0.467022D+01  0.361216D+01
      2   0.951465D+00  0.177495D+01 -0.560658D+00  0.361216D+01  0.221084D+01
      3   0.161675D+01 -0.560658D+00 -0.196058D+01 -0.146550D+01 -0.453147D+00
               111           112           113           114           115 
      1  -0.146550D+01  0.780802D+01  0.361236D+01 -0.161677D+01 -0.327245D+01
      2  -0.453147D+00  0.361236D+01  0.788877D+01 -0.163308D+01 -0.105475D+01
      3   0.485883D+00 -0.161677D+01 -0.163308D+01  0.285863D+01  0.172898D+01
               116           117           118           119           120 
      1  -0.105475D+01  0.172898D+01 -0.108927D+01 -0.114800D+01  0.189701D+01
      2  -0.208125D+01  0.230063D+01 -0.114800D+01 -0.769392D-01 -0.551175D+00
      3   0.230063D+01 -0.211601D+01  0.189701D+01 -0.551175D+00 -0.267308D+01
               121           122           123           124           125 
      1  -0.411904D+01  0.189072D+01  0.594919D+00  0.295334D+01 -0.836287D+00
      2   0.189072D+01 -0.480629D+01 -0.157873D+01 -0.836287D+00  0.302291D+00
      3   0.594919D+00 -0.157873D+01 -0.127329D+01 -0.265182D+01 -0.562381D+00
               126           127           128           129           130 
      1  -0.265182D+01 -0.190248D+01  0.137936D+01 -0.116698D+01  0.146563D+01
      2  -0.562381D+00  0.137936D+01 -0.985241D+00  0.895748D+00 -0.159729D+01
      3   0.296038D+01 -0.116698D+01  0.895748D+00 -0.119763D+01  0.113792D+01
               131           132           133           134           135 
      1  -0.159729D+01  0.113792D+01 -0.173963D+01  0.157585D+01 -0.130074D+01
      2   0.416203D+01 -0.279325D+01  0.157585D+01 -0.279569D+01  0.226652D+01
      3  -0.279325D+01  0.281735D+01 -0.130074D+01  0.226652D+01 -0.259307D+01
               136           137           138           139           140 
      1   0.388548D+01  0.213456D+01 -0.501819D+00  0.260149D+01  0.267566D+01
      2   0.213456D+01  0.205770D+01 -0.375054D+00  0.267566D+01  0.448909D+01
      3  -0.501819D+00 -0.375054D+00  0.503099D+00 -0.952244D+00 -0.144360D+01
               141           142           143           144           145 
      1  -0.952244D+00 -0.735222D+00 -0.827545D+00  0.363025D+00  0.189754D+01
      2  -0.144360D+01 -0.827545D+00 -0.186508D+01  0.764781D+00 -0.149645D+01
      3   0.121463D+01  0.363025D+00  0.764781D+00 -0.762162D+00  0.145407D+01
               146           147           148           149           150 
      1  -0.149645D+01  0.145407D+01 -0.148369D+01  0.183354D+01 -0.127521D+01
      2   0.143650D+01 -0.113312D+01  0.183354D+01 -0.529054D+01  0.303047D+01
      3  -0.113312D+01  0.129334D+01 -0.127521D+01  0.303047D+01 -0.270910D+01
               151           152           153           154           155 
      1   0.145632D+01 -0.160959D+01  0.118870D+01 -0.343350D+01 -0.243805D+01
      2  -0.160959D+01  0.327101D+01 -0.223113D+01 -0.243805D+01 -0.282931D+01
      3   0.118870D+01 -0.223113D+01  0.206762D+01  0.602768D+00  0.368429D+00
               156           157           158           159           160 
      1   0.602768D+00 -0.291867D+01 -0.323610D+01  0.963721D+00  0.488954D+00
      2   0.368429D+00 -0.323610D+01 -0.601384D+01  0.144122D+01  0.663724D+00
      3  -0.362569D+00  0.963721D+00  0.144122D+01 -0.104370D+01 -0.406871D+00
               161           162           163           164           165 
      1   0.663724D+00 -0.406871D+00 -0.257651D+01 -0.172894D+01 -0.335074D+00
      2   0.196077D+01 -0.748544D+00 -0.172894D+01 -0.165121D+01 -0.774549D+00
      3  -0.748544D+00  0.505223D+00 -0.335074D+00 -0.774549D+00 -0.751998D+00
               166           167           168           169           170 
      1  -0.394645D+01 -0.269406D+01 -0.132140D+01  0.156996D+01 -0.652858D+00
      2  -0.269406D+01 -0.710595D+01 -0.260384D+01 -0.652858D+00 -0.106815D+01
      3  -0.132140D+01 -0.260384D+01 -0.168182D+01 -0.841213D+00 -0.118369D+01
               171           172           173           174           175 
      1  -0.841213D+00 -0.111551D+01  0.724656D+00 -0.123933D+01  0.341353D+01
      2  -0.118369D+01  0.724656D+00 -0.400203D+00  0.633098D-01 -0.947856D+00
      3  -0.150406D+01 -0.123933D+01  0.633098D-01 -0.102319D+01  0.844326D+00
               176           177           178           179           180 
      1  -0.947856D+00  0.844326D+00 -0.204710D+01  0.264814D+00 -0.235186D+01
      2   0.560968D+00 -0.153634D+01  0.264814D+00 -0.104038D+01  0.123486D+01
      3  -0.153634D+01  0.276273D+01 -0.235186D+01  0.123486D+01 -0.837842D+01
               181           182           183           184           185 
      1  -0.112526D+02 -0.114366D+01 -0.379205D+01 -0.201270D+01 -0.163993D+01
      2  -0.114366D+01 -0.108953D+01 -0.193864D+00 -0.163993D+01  0.441048D-01
      3  -0.379205D+01 -0.193864D+00 -0.222847D+01 -0.144202D+00 -0.589372D+00
               186           187           188           189           190 
      1  -0.144202D+00 -0.532668D+01 -0.362682D-02 -0.282372D+01 -0.211996D+00
      2  -0.589372D+00 -0.362682D-02 -0.608208D+00 -0.723504D+00  0.109474D+01
      3  -0.794108D+00 -0.282372D+01 -0.723504D+00 -0.224020D+01 -0.565976D+00
               191           192           193           194           195 
      1   0.109474D+01 -0.565976D+00  0.103850D+01 -0.671735D+00  0.232042D+00
      2  -0.354076D+00  0.133931D-01 -0.671735D+00  0.317029D+01 -0.231365D+01
      3   0.133931D-01 -0.240751D+00  0.232042D+00 -0.231365D+01  0.244760D+01
               196           197           198           199           200 
      1  -0.110014D+01  0.559315D+00 -0.503708D+00  0.598559D+01  0.390325D+00
      2   0.559315D+00 -0.361995D+01  0.330932D+01  0.390325D+00  0.184553D+01
      3  -0.503708D+00  0.330932D+01 -0.544245D+01  0.168551D+01  0.430670D+00
               201           202           203           204           205 
      1   0.168551D+01  0.352079D+00  0.966471D+00  0.228941D+00  0.198107D+01
      2   0.430670D+00  0.966471D+00  0.842326D+00  0.382909D+00  0.380501D+00
      3   0.140212D+01  0.228941D+00  0.382909D+00  0.784142D+00  0.100697D+01
               206           207           208           209           210 
      1   0.380501D+00  0.100697D+01 -0.632047D+01  0.369993D+01  0.267830D+01
      2   0.976733D+00  0.112892D+01  0.369993D+01 -0.325682D+01 -0.136419D+01
      3   0.112892D+01  0.133726D+01  0.267830D+01 -0.136419D+01 -0.179597D+01
               211           212           213           214           215 
      1   0.264584D+01 -0.271713D+01 -0.110466D+01  0.349264D+01 -0.199897D+01
      2  -0.271713D+01  0.275145D+01  0.118963D+01 -0.199897D+01  0.208429D+01
      3  -0.110466D+01  0.118963D+01  0.119316D+01 -0.233734D+01  0.204468D+01
               216           217           218           219           220 
      1  -0.233734D+01  0.621817D+01  0.441141D+00  0.136473D+01  0.494409D+00
      2   0.204468D+01  0.441141D+00  0.775859D+00 -0.168408D+00  0.308818D+00
      3   0.203236D+01  0.136473D+01 -0.168408D+00  0.236965D+01  0.626347D-01
               221           222           223           224           225 
      1   0.308818D+00  0.626347D-01  0.158260D+01 -0.971954D-01  0.141346D+01
      2  -0.469588D+00  0.487088D+00 -0.971954D-01  0.551907D+00  0.203348D+00
      3   0.487088D+00  0.758251D+00  0.141346D+01  0.203348D+00  0.262794D+01
               226           227           228           229           230 
      1  -0.107499D+01 -0.135446D+01  0.698632D+00 -0.204649D+01 -0.215186D+01
      2  -0.135446D+01 -0.144977D+01  0.670135D-01 -0.215186D+01 -0.870138D+01
      3   0.698632D+00  0.670135D-01 -0.428267D+00  0.441032D+00  0.886304D+00
               231           232           233           234           235 
      1   0.441032D+00  0.225501D+00 -0.114833D+00 -0.292858D+00 -0.705133D+01
      2   0.886304D+00 -0.114833D+00 -0.448434D+00 -0.694835D+00  0.101402D+01
      3  -0.127049D+01 -0.292858D+00 -0.694835D+00 -0.803021D-02  0.441114D+01
               236           237           238           239           240 
      1   0.101402D+01  0.441114D+01  0.255873D+01 -0.149456D+01 -0.156574D+01
      2  -0.125029D+01 -0.518057D+00 -0.149456D+01  0.429995D+00  0.884014D+00
      3  -0.518057D+00 -0.332861D+01 -0.156574D+01  0.884014D+00  0.189701D+01
               241           242           243           244           245 
      1   0.410598D+01 -0.595208D+00 -0.357852D+01 -0.128548D+00 -0.166817D+01
      2  -0.595208D+00  0.556116D+00  0.832366D+00 -0.166817D+01  0.895540D+00
      3  -0.357852D+01  0.832366D+00  0.400131D+01  0.408563D+00 -0.423532D+00
               246           247           248           249           250 
      1   0.408563D+00 -0.278891D+01  0.149000D+01 -0.790046D+00  0.678357D+00
      2  -0.423532D+00  0.149000D+01 -0.453836D+01  0.197370D+01 -0.599517D+00
      3   0.714334D+00 -0.790046D+00  0.197370D+01 -0.189936D+01  0.140726D+01
               251           252           253           254           255 
      1  -0.599517D+00  0.140726D+01 -0.739887D+01 -0.148382D+01 -0.609628D+01
      2   0.212202D+01 -0.150144D+01 -0.148382D+01  0.689847D+00 -0.460174D+00
      3  -0.150144D+01  0.249673D+01 -0.609628D+01 -0.460174D+00  0.130017D+01
               256           257           258           259           260 
      1   0.263799D+01  0.224662D+01  0.111735D+01 -0.328379D+01  0.476702D+00
      2   0.224662D+01 -0.135132D+01  0.374478D+01  0.476702D+00  0.359064D+01
      3   0.111735D+01  0.374478D+01  0.267359D+01  0.267963D+01  0.115645D+01
               261           262           263           264           265 
      1   0.267963D+01  0.421407D+01 -0.133518D+01 -0.289396D+01  0.433694D+00
      2   0.115645D+01 -0.133518D+01  0.110829D+01  0.849640D+00  0.497530D+00
      3  -0.860367D+00 -0.289396D+01  0.849640D+00  0.276773D+01 -0.427313D+00
               266           267           268           269           270 
      1   0.497530D+00 -0.427313D+00 -0.405344D+01  0.124537D+01  0.392549D+01
      2  -0.607461D+00 -0.435798D+00  0.124537D+01 -0.144613D+01 -0.141342D+01
      3  -0.435798D+00  0.345343D+00  0.392549D+01 -0.141342D+01 -0.499125D+01
               271           272           273           274           275 
      1   0.380796D+00  0.875800D+00  0.165964D+00  0.146639D+01  0.364923D-01
      2   0.875800D+00 -0.702975D+00  0.242689D-01  0.364923D-01  0.584990D+01
      3   0.165964D+00  0.242689D-01 -0.324596D+00  0.270848D+00 -0.555631D+00
               276           277           278           279           280 
      1   0.270848D+00 -0.727693D+00 -0.795532D-01 -0.457844D+00  0.112923D+02
      2  -0.555631D+00 -0.795532D-01 -0.192744D+01  0.404321D+00  0.202053D+01
      3   0.125494D+01 -0.457844D+00  0.404321D+00 -0.122495D+01  0.512947D+01
               281           282           283           284           285 
      1   0.202053D+01  0.512947D+01  0.420480D+00  0.119263D+01  0.254095D+00
      2   0.152128D+01  0.124597D+01  0.119263D+01  0.643487D+00  0.417369D+00
      3   0.124597D+01  0.347884D+01  0.254095D+00  0.417369D+00 -0.114509D+00
               286           287           288           289           290 
      1   0.371963D+01  0.757242D+00  0.288271D+01 -0.184473D+01  0.173214D+00
      2   0.757242D+00  0.286793D+00  0.654757D+00  0.173214D+00 -0.921329D+00
      3   0.288271D+01  0.654757D+00  0.289609D+01  0.234559D+01 -0.586571D+00
               291           292           293           294           295 
      1   0.234559D+01 -0.543231D+00 -0.569897D+00 -0.102259D+00  0.210474D+01
      2  -0.586571D+00 -0.569897D+00  0.196081D+00  0.419544D+00 -0.987786D-01
      3  -0.345763D+01 -0.102259D+00  0.419544D+00 -0.763134D+00 -0.172052D+01
               296           297 
      1  -0.987786D-01 -0.172052D+01
      2   0.689342D+00  0.618837D+00
      3   0.618837D+00  0.627582D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.125143D+01  0.292533D+01 -0.824856D-01  0.454611D+01  0.897853D+00
      2   0.464768D+01 -0.424264D+01  0.459416D+01 -0.416822D+00 -0.489006D+01
      3  -0.127527D+02 -0.691647D+01  0.254671D+01 -0.398482D+00 -0.165367D+01
                 6             7             8             9            10 
      1  -0.250356D+01  0.490091D+01  0.303465D+01  0.110155D+01 -0.412567D+01
      2   0.177208D+01 -0.115428D+02 -0.302136D+01  0.105804D+01 -0.661920D+01
      3   0.123075D+01  0.529797D+01  0.878775D+00 -0.382473D+00  0.173542D+02
                11            12            13            14            15 
      1  -0.187764D+01  0.420529D+00 -0.892551D+01  0.484647D+01 -0.887893D+00
      2   0.100881D+01 -0.188922D+01  0.560726D+01  0.421650D+01 -0.220060D+01
      3   0.101559D+01  0.184761D+01  0.179557D+02  0.218338D+01  0.176312D+01
                16            17            18            19            20 
      1   0.293060D+01  0.617324D+01 -0.575642D+01  0.523178D-03 -0.964901D+00
      2  -0.146958D+02 -0.213148D+01 -0.290543D+00  0.420302D+01 -0.634162D+00
      3  -0.480844D+00  0.960166D+00  0.111603D+01  0.559451D+01 -0.448955D+01
                21            22            23            24            25 
      1  -0.176869D+00 -0.159467D+01 -0.198570D+01 -0.306713D+01 -0.611584D+01
      2   0.127324D+01 -0.511765D+01  0.169251D+01 -0.662803D+00 -0.101730D+02
      3   0.314702D+01  0.336547D+00  0.170562D+00 -0.152699D+01  0.826228D+01
                26            27            28            29            30 
      1   0.188942D+01 -0.386466D+01  0.235351D+01 -0.396863D+01  0.345483D+01
      2   0.169461D+01 -0.319694D+01  0.559183D+01  0.209585D+01  0.712176D+00
      3  -0.145315D+01  0.440027D+01 -0.141935D+02  0.118087D+00 -0.410530D+01
                31            32            33            34            35 
      1  -0.666152D+01  0.425171D+01 -0.445996D+00  0.707475D+01  0.623723D+01
      2   0.383138D+01  0.448961D+01  0.133126D+01 -0.928471D+01 -0.106252D+01
      3   0.193912D+02  0.361670D+01  0.189449D+01 -0.692179D+01  0.824077D+00
                36            37            38            39            40 
      1  -0.232605D+01 -0.365083D+01  0.100190D+01 -0.770274D+00  0.754241D+00
      2  -0.488409D+01  0.532204D+00 -0.454437D+01  0.358647D+01 -0.289479D+00
      3  -0.551804D+01  0.470525D+01 -0.416660D+01  0.539190D+01  0.131913D+02
                41            42            43            44            45 
      1   0.789906D-01 -0.263897D+01  0.348453D+01  0.174189D+01  0.429541D+01
      2  -0.386322D+01 -0.579976D+00 -0.980896D+01 -0.269816D+01  0.951869D+00
      3   0.327944D+00  0.320374D+01  0.402359D+01  0.209787D+00  0.714399D+00
                46            47            48            49            50 
      1   0.427399D+01  0.808126D+00 -0.207647D+01 -0.481494D+01 -0.675227D+00
      2   0.632348D+01 -0.103870D+01  0.120792D+01 -0.761591D+01  0.184518D+01
      3  -0.663965D+01 -0.414944D+01 -0.194443D+01  0.101148D+02 -0.113232D+01
                51            52            53            54            55 
      1  -0.395923D+01 -0.588219D+01  0.270429D+01 -0.133138D+01  0.266491D+01
      2   0.479763D+00 -0.672666D+01  0.259647D+01 -0.288898D+01  0.218442D+02
      3   0.160391D+01 -0.571290D+01 -0.257755D+01  0.924594D+00 -0.157557D+02
                56            57            58            59            60 
      1  -0.713866D+00 -0.129040D+01 -0.383098D+01 -0.717826D+01 -0.765226D+01
      2  -0.488822D+01 -0.374474D+01 -0.948296D+01 -0.131068D+01  0.117846D+02
      3   0.575754D+01  0.364037D+01  0.235969D+02  0.148162D+02  0.714416D+01
                61            62            63            64            65 
      1  -0.182597D+01 -0.108885D+01  0.762454D+01 -0.243052D+01 -0.651496D-01
      2  -0.267779D+02  0.111526D+02 -0.115743D+02 -0.340865D+02  0.483967D+01
      3   0.898733D+01  0.223385D+01 -0.117669D+02  0.195548D+02 -0.955750D+01
                66            67            68            69            70 
      1   0.407450D+00  0.413634D+01  0.512915D+00 -0.412560D+01 -0.168224D+00
      2   0.338207D+01  0.110392D+02  0.909252D+00 -0.146397D+02  0.390986D+01
      3  -0.295518D+01 -0.329176D+01 -0.217185D+02 -0.408046D+01 -0.120802D+02
                71            72            73            74            75 
      1   0.328692D+01 -0.372770D+00  0.968289D+01 -0.313482D+01 -0.101612D+01
      2  -0.166578D+02  0.737200D+01  0.209444D+02 -0.495710D+01  0.932821D+00
      3  -0.532858D+01  0.170069D+02 -0.175990D+02 -0.299712D+01 -0.428646D+01
                76            77            78            79            80 
      1  -0.190444D+01 -0.274685D+01  0.636689D+01 -0.335923D+01  0.137084D+02
      2  -0.382858D+01 -0.352901D+01  0.138242D+02 -0.600337D+01  0.182818D+02
      3  -0.230482D+01  0.162416D+02  0.600933D+01 -0.529891D+01  0.923063D+01
                81            82            83            84            85 
      1  -0.627360D+01 -0.636274D+01  0.308591D+01  0.293407D+01  0.563869D+01
      2  -0.108264D+02  0.260963D+02 -0.238288D+01  0.809501D+01 -0.504826D+01
      3  -0.182235D+02 -0.933539D+01  0.527712D+01  0.912283D+01  0.123602D+02
                86            87            88            89            90 
      1   0.123004D+02 -0.506808D+01  0.350197D+01  0.160075D+01 -0.479459D+01
      2  -0.299730D+01  0.117283D+02  0.620183D+01  0.116338D+02 -0.406613D+01
      3   0.276592D+02  0.179068D+00  0.126225D+02  0.549453D+01 -0.140278D+02
                91            92            93            94            95 
      1  -0.181549D+01 -0.222493D+01 -0.269362D-01 -0.555660D+01  0.188640D+01
      2   0.118246D+02 -0.837841D+00 -0.165791D+01 -0.294452D+01 -0.106788D+02
      3  -0.161577D+01 -0.858248D+00  0.102146D+01  0.149235D+02 -0.612530D+01
                96            97            98            99           100 
      1  -0.874119D+01  0.154733D+01  0.654816D-01  0.375383D-01  0.192551D+01
      2  -0.440402D+01 -0.297163D+02 -0.176322D+01  0.112333D+01 -0.230709D+02
      3   0.143415D+02  0.343812D+01  0.119032D+02  0.293159D+01  0.441429D+01
               101           102           103           104           105 
      1   0.585471D+01  0.248048D+01  0.363821D+01  0.199768D+01  0.442147D+01
      2   0.301727D+01  0.917319D+01  0.715569D+01  0.814034D+01 -0.600619D+01
      3  -0.505093D-01 -0.144285D+01  0.689087D+01  0.130689D+02 -0.998565D+01
               106           107           108           109           110 
      1  -0.114970D+01  0.456275D+01  0.221638D+00 -0.143427D+01 -0.285818D+01
      2  -0.100252D+01 -0.262204D+01  0.665856D+01  0.588129D+00 -0.151495D+01
      3  -0.100344D+01 -0.152748D+02  0.765307D+00 -0.114992D+02 -0.111772D+02
               111           112           113           114           115 
      1  -0.287141D+01 -0.233893D+00 -0.545656D+01 -0.687071D+01 -0.542987D+00
      2   0.479726D+01 -0.835076D+01 -0.758993D+01  0.122295D+02  0.579551D+01
      3   0.166329D+01 -0.509961D+01 -0.328061D+02  0.574889D+01 -0.719641D+00
               116           117           118           119           120 
      1   0.314114D+01  0.977487D+00  0.311461D+01 -0.897216D+00 -0.127317D+01
      2   0.922072D+01 -0.121992D+02  0.854649D+01 -0.348452D+01 -0.674195D+01
      3   0.111921D+02 -0.892325D+01  0.547589D+01 -0.197763D+01 -0.313369D-01
               121           122           123           124           125 
      1   0.289702D+01  0.358373D+01 -0.683108D+01 -0.238917D+01  0.194996D+01
      2   0.324164D+01 -0.482403D+01 -0.586425D+01 -0.852190D+01 -0.294597D+01
      3  -0.411166D-02  0.192191D+02  0.385723D+01  0.207518D+01  0.119300D+01
               126           127           128           129           130 
      1   0.303109D+01 -0.104530D+01  0.109748D+01  0.103567D+01  0.145603D+01
      2   0.776444D+01 -0.334648D+01  0.114203D+01 -0.955172D-01  0.213212D+01
      3   0.546454D+01 -0.334032D+01  0.544489D+00 -0.422165D+00  0.272521D+01
               131           132           133           134           135 
      1  -0.338086D+01 -0.122056D+01 -0.123480D+01  0.393812D+01 -0.730635D-01
      2   0.127566D+00 -0.165556D+01 -0.390536D+01  0.300756D+00  0.982165D+00
      3   0.132101D+01 -0.559308D+00 -0.198008D+01 -0.883528D+00  0.103902D+00
               136           137           138           139           140 
      1  -0.156310D+01 -0.236664D+01 -0.140630D+01 -0.122599D+01 -0.169955D+01
      2   0.456841D+01  0.186272D+01  0.613783D+00  0.213947D+01  0.145968D+01
      3   0.638630D+01  0.664034D+00 -0.558657D+00  0.435102D+01 -0.917461D+00
               141           142           143           144           145 
      1  -0.275810D+01  0.130128D+00  0.197613D+01  0.174393D+00  0.167385D+01
      2   0.133827D+01 -0.120538D+01 -0.532101D+00 -0.650481D+00 -0.120486D+01
      3  -0.890991D-01  0.497105D+00  0.119567D+01  0.116234D+00 -0.456069D+01
               146           147           148           149           150 
      1  -0.404558D+00  0.267774D+01 -0.754744D+00  0.481948D+00 -0.450801D+01
      2   0.139155D+00  0.517539D+00  0.887987D+00  0.537971D+00 -0.191297D+01
      3   0.924909D+00 -0.187888D+01  0.370106D+01 -0.167245D+00  0.971843D+00
               151           152           153           154           155 
      1   0.660635D+00  0.126111D+01  0.226534D+01  0.101391D+01 -0.671817D+00
      2  -0.258808D+01 -0.138242D+00  0.695546D+00  0.153540D+01  0.585992D+00
      3  -0.326218D+01  0.708568D+00 -0.127043D+01  0.733445D+01  0.850191D+00
               156           157           158           159           160 
      1  -0.208720D+01  0.167426D+01  0.169986D+01 -0.398797D+01 -0.420665D+00
      2   0.969555D+00  0.139571D-01  0.214794D+00  0.186548D+01 -0.138065D+01
      3  -0.112176D+01  0.534267D+01 -0.107210D+01 -0.517643D+00  0.659667D-02
               161           162           163           164           165 
      1   0.810548D+00  0.774149D+00  0.214642D+01  0.194098D+01 -0.550581D-01
      2   0.121538D+00 -0.543951D+00 -0.310910D+01 -0.992667D-01  0.313530D+01
      3   0.117658D+01  0.177912D+00 -0.469438D+01 -0.556972D+01 -0.225512D+01
               166           167           168           169           170 
      1   0.271636D+01  0.951246D+01 -0.251404D+00  0.725115D+00  0.180565D+01
      2  -0.129661D+01  0.380605D+01  0.410527D+01  0.270667D+01  0.236823D+01
      3  -0.296133D+01 -0.221415D+02 -0.775645D+01 -0.349508D+01 -0.311212D+01
               171           172           173           174           175 
      1   0.456480D-01 -0.190760D+01  0.875026D+00 -0.585566D+00  0.156280D+01
      2   0.386048D+01  0.310795D+01  0.571019D+00  0.261269D+01  0.248862D+01
      3  -0.297244D+01  0.446127D+01 -0.317557D+01  0.114672D+01 -0.342647D+01
               176           177           178           179           180 
      1  -0.255372D+01  0.310913D+01 -0.178909D+01  0.549302D+01 -0.685551D+01
      2   0.357148D+01 -0.830933D+01  0.207128D+01 -0.351760D+01  0.241511D+02
      3   0.233758D+01 -0.581660D+01  0.183848D+01 -0.425493D+01  0.682990D+01
               181           182           183           184           185 
      1   0.368707D+00  0.114067D+01 -0.132974D-01  0.265879D+00  0.673566D-01
      2   0.942659D+01  0.637186D-01  0.109467D+02 -0.104264D+01  0.165570D+01
      3  -0.409073D+01 -0.807015D+01 -0.434221D+00 -0.522248D+01  0.758151D+00
               186           187           188           189           190 
      1  -0.722159D+00 -0.932058D-02  0.166334D+01  0.217521D+00  0.858217D+00
      2   0.371301D+01  0.671288D+01  0.358919D+01  0.858656D+01  0.249326D+01
      3  -0.245447D+01  0.119796D+01 -0.326872D+01 -0.328692D+01  0.576993D+01
               191           192           193           194           195 
      1   0.699791D-01  0.868915D-01 -0.241520D+00  0.327026D+01 -0.668313D+01
      2   0.184672D+00  0.108343D+01  0.146262D+00  0.861265D+01 -0.922465D+01
      3  -0.192390D+00 -0.108546D+01  0.128616D+01  0.116287D+02 -0.944341D+01
               196           197           198           199           200 
      1   0.289419D+00 -0.348233D+01  0.122457D+02 -0.330879D+01  0.103707D+00
      2  -0.132113D+01 -0.121737D+02  0.210233D+02 -0.918189D+01 -0.160878D+01
      3  -0.141366D+01 -0.145503D+02  0.136758D+02  0.199107D+02  0.699480D+01
               201           202           203           204           205 
      1  -0.362247D+01 -0.340548D+00 -0.832387D+00 -0.239840D+01 -0.268076D+01
      2  -0.427846D+01 -0.780783D+00 -0.183522D+01 -0.240375D+01 -0.637476D+01
      3   0.600594D+01  0.754896D+01  0.460378D+01  0.262382D+01  0.611949D+01
               206           207           208           209           210 
      1  -0.622505D+00 -0.264682D+01 -0.590606D+01  0.200399D+01  0.508364D+01
      2  -0.415530D+01 -0.446789D+01 -0.106391D+02  0.549320D+01  0.930650D+01
      3   0.423344D+01  0.734953D+01  0.299083D+01 -0.914732D+01 -0.344442D+00
               211           212           213           214           215 
      1   0.289814D+01 -0.207966D+01 -0.409497D+01  0.502698D+01 -0.258660D+01
      2   0.373872D+01 -0.483627D+01 -0.572861D+01  0.798588D+01 -0.833172D+01
      3  -0.365642D+01  0.703764D+01  0.245963D+01 -0.976997D-01  0.604493D+01
               216           217           218           219           220 
      1  -0.484169D+01  0.685204D+00  0.237176D+01  0.109300D+01  0.126616D+01
      2  -0.914113D+01 -0.214214D+02  0.255499D+00 -0.116857D+02 -0.322161D+00
      3   0.459307D+01 -0.428714D+01  0.174509D+01 -0.205069D+01  0.355478D+01
               221           222           223           224           225 
      1  -0.267503D+00 -0.183024D-01  0.933481D+00  0.217292D+01  0.183643D+01
      2  -0.275552D+01 -0.309504D+01 -0.119084D+02 -0.878891D+00 -0.131736D+02
      3  -0.226586D+01  0.161383D+01 -0.210377D+01  0.119561D+01 -0.719336D+00
               226           227           228           229           230 
      1  -0.126321D+01 -0.198665D+01 -0.624861D+00 -0.221821D+01 -0.126997D+02
      2  -0.291261D+01  0.110340D+01  0.163649D+01  0.865758D+00 -0.272873D+01
      3  -0.555058D+01 -0.557576D+01 -0.179503D+00 -0.338892D+01 -0.364533D+02
               231           232           233           234           235 
      1  -0.334502D+01 -0.218384D+00 -0.145727D+00 -0.104817D+01  0.498751D+01
      2   0.571207D+01 -0.502825D+00  0.280015D+01  0.652388D+00 -0.935431D+01
      3   0.300913D+01 -0.417761D+00 -0.209492D+01 -0.268612D+01  0.910709D+01
               236           237           238           239           240 
      1  -0.388098D+01 -0.305078D+01 -0.317447D+01  0.182869D+01  0.133030D+01
      2   0.583966D+00  0.108916D+02  0.280701D+01 -0.203830D+01 -0.721316D+01
      3  -0.869423D+01 -0.520490D+01 -0.736724D+01  0.330265D+01  0.449019D+01
               241           242           243           244           245 
      1  -0.409541D+01  0.332109D+01  0.370546D+01 -0.212899D+01  0.116509D+01
      2   0.727623D+01 -0.269065D+01 -0.140335D+02  0.146417D+01  0.260597D+00
      3  -0.554908D+01  0.407175D+01  0.606932D+01  0.548698D+01 -0.275552D+01
               246           247           248           249           250 
      1  -0.294549D+00  0.113295D+01 -0.538347D+01 -0.564596D+00 -0.721929D+00
      2   0.253395D+01  0.467159D+00  0.486002D+01 -0.471068D+01  0.179612D+01
      3   0.156771D+01  0.741527D-02  0.136319D+02 -0.566119D+01  0.124788D+01
               251           252           253           254           255 
      1   0.320183D+01 -0.562905D+00  0.416854D+01  0.385454D+01 -0.386717D+01
      2  -0.380493D+01  0.586577D+01 -0.477510D+01  0.121504D+01  0.187810D+02
      3  -0.675660D+01  0.410741D+01 -0.457089D+01 -0.726061D+01 -0.654650D+01
               256           257           258           259           260 
      1   0.419092D+01 -0.101028D+02  0.391714D+01 -0.111888D+01  0.983467D+01
      2   0.172331D+01  0.922119D+01  0.663919D+01  0.144174D+02  0.351009D+01
      3  -0.711795D+01  0.662073D+01 -0.132825D+02 -0.739519D+01 -0.121478D+02
               261           262           263           264           265 
      1   0.602046D+01 -0.262641D+01 -0.475446D+00  0.294124D+01 -0.125904D+00
      2  -0.725490D+01 -0.776400D+01  0.329849D+01  0.953260D+01 -0.140869D+01
      3  -0.219732D+01  0.851136D+00 -0.363455D+01 -0.296885D+00 -0.126235D+01
               266           267           268           269           270 
      1  -0.769678D+00 -0.183530D-01  0.395989D+01  0.427456D+00 -0.501792D+01
      2  -0.142478D+01  0.143669D+01  0.111481D+02 -0.465142D+01 -0.182558D+02
      3   0.118453D+01  0.154777D+01 -0.427673D+00  0.494777D+01  0.152105D+01
               271           272           273           274           275 
      1   0.265037D+01 -0.196625D+01  0.116011D+01 -0.108595D+01  0.139600D+02
      2   0.720251D-01 -0.118448D+01 -0.909265D+00 -0.144202D+01 -0.147271D+01
      3  -0.366848D+01  0.295541D+01 -0.720832D+00  0.407046D+01 -0.176624D+02
               276           277           278           279           280 
      1  -0.585590D+01  0.116125D+01 -0.420276D+01  0.520013D+01 -0.140206D+01
      2   0.297437D+01 -0.165362D+01  0.122219D+01 -0.291584D+01 -0.572009D+01
      3   0.260406D+01 -0.258005D+01  0.632506D+01 -0.214240D+01  0.536806D+01
               281           282           283           284           285 
      1   0.323521D+01 -0.178671D+01  0.210766D+01  0.146015D+01 -0.413153D+00
      2   0.723013D+00  0.423506D+01 -0.117993D+00 -0.111599D+01 -0.486268D+00
      3  -0.561576D+01  0.883476D+00 -0.191558D+01 -0.145942D+01 -0.397431D+00
               286           287           288           289           290 
      1  -0.188526D+01  0.103836D+01 -0.212782D+01 -0.284908D+01 -0.307673D+01
      2   0.524119D+00  0.488252D+00  0.455587D+01  0.132392D+02 -0.138314D+01
      3   0.209964D+01 -0.126584D+01  0.822970D+00 -0.367075D+01  0.172556D+01
               291           292           293           294           295 
      1   0.320246D+01 -0.203566D+01 -0.468008D+00  0.462797D+00  0.233991D+01
      2  -0.135238D+02  0.122035D+01  0.253001D+01 -0.183645D+01 -0.117275D+02
      3   0.424149D+01  0.234469D+01 -0.109363D+01 -0.881840D+00  0.322579D+01
               296           297 
      1   0.254742D+01 -0.624205D+01
      2   0.173518D+01  0.212188D+02
      3  -0.105062D+01 -0.457378D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.111005D+01  0.152235D+02 -0.577608D+01 -0.256386D+02  0.156490D+02
      2   0.591756D+01 -0.136813D+02  0.771024D+01  0.166930D+02 -0.487556D+01
      3  -0.480752D+01 -0.154220D+01 -0.193416D+01  0.894559D+01 -0.107735D+02
      4   0.125684D+02  0.489532D+01  0.595884D+01  0.156451D+02  0.142129D+00
      5  -0.926561D+01  0.789125D+01 -0.630354D+01 -0.639958D+01 -0.281341D+01
      6   0.894276D+01  0.225188D+01  0.307347D+00 -0.526607D+01  0.952536D+01
                 6             7             8             9            10 
      1  -0.126732D+02  0.966893D+01  0.319648D+01 -0.101457D+02  0.531136D+02
      2   0.736609D+01 -0.748734D+01  0.180690D+01 -0.995186D+01 -0.279019D+02
      3   0.530708D+01 -0.218159D+01 -0.500337D+01  0.200975D+02 -0.252117D+02
      4  -0.309323D+01  0.909104D+01 -0.735493D+01  0.374782D+01 -0.329841D+01
      5  -0.214642D+01  0.392563D+01  0.345967D+01 -0.237240D+01  0.697384D+01
      6  -0.595040D+01  0.628379D+01 -0.124188D+01  0.441713D+01  0.716511D+00
                11            12            13            14            15 
      1  -0.316016D+01  0.539704D+01 -0.129379D+02 -0.173865D+02  0.711703D+01
      2   0.630214D+01 -0.556682D+01  0.399152D+01  0.133946D+02 -0.119423D+02
      3  -0.314198D+01  0.169779D+00  0.894635D+01  0.399184D+01  0.482525D+01
      4   0.718628D+01 -0.419957D+01 -0.121364D+02  0.302034D+01  0.373620D+00
      5  -0.361767D+01  0.187624D+01  0.132455D+02 -0.999722D+00  0.150286D+01
      6   0.186664D+01 -0.290330D+00 -0.178797D+01 -0.501173D+01  0.527183D+01
                16            17            18            19            20 
      1   0.188296D+01  0.835432D+01 -0.778230D+01  0.795149D+00 -0.156976D+02
      2  -0.382159D+01 -0.269112D+01 -0.795886D+00 -0.953504D+01  0.717526D+01
      3   0.193862D+01 -0.566320D+01  0.857819D+01  0.873989D+01  0.852238D+01
      4   0.154343D+02  0.322124D+01 -0.120889D+00 -0.158520D+02 -0.733268D+01
      5   0.817418D+01  0.468455D+00  0.475204D+01  0.318474D+01 -0.356845D+01
      6   0.972375D+01  0.118568D+02  0.513402D+01 -0.574575D+01 -0.567269D+01
                21            22            23            24            25 
      1   0.133055D+02  0.177539D+02  0.226066D+01 -0.351137D+01 -0.105965D+02
      2  -0.217993D+01 -0.123231D+02 -0.183171D+01  0.393971D+01  0.111028D+02
      3  -0.111256D+02 -0.543075D+01 -0.428946D+00 -0.428342D+00 -0.506356D+00
      4  -0.136845D+01  0.697346D+01 -0.550574D+01  0.600232D+01 -0.897586D+01
      5   0.736702D+01  0.288739D+01  0.749328D+01 -0.197386D+01  0.796916D+01
      6   0.108549D+01  0.126834D+02  0.878366D+01  0.478652D+01 -0.749550D+01
                26            27            28            29            30 
      1  -0.143519D+02  0.216993D+00  0.561140D+01  0.257519D+01  0.152708D+01
      2   0.148072D+02 -0.587900D+01 -0.617903D+01 -0.355432D+01 -0.235153D+01
      3  -0.455217D+00  0.566201D+01  0.567621D+00  0.979133D+00  0.824456D+00
      4  -0.768206D+00 -0.328713D+01 -0.187271D+01  0.618114D+01 -0.115386D+01
      5  -0.202529D+01 -0.480736D+01  0.416005D+01 -0.887604D+00  0.449247D+01
      6  -0.292118D+00 -0.137595D+00  0.669064D+01  0.171873D+01 -0.206161D+01
                31            32            33            34            35 
      1  -0.774072D+01 -0.175562D+02  0.537015D+01 -0.606183D+01  0.840288D+01
      2  -0.167685D+01  0.102872D+02 -0.134509D+02  0.104663D+01 -0.655499D+01
      3   0.941756D+01  0.726897D+01  0.808078D+01  0.501520D+01 -0.184789D+01
      4  -0.122082D+02 -0.233691D+01  0.791024D+00  0.159936D+02  0.377727D+01
      5   0.133815D+02  0.840151D+00  0.574029D+01  0.125753D+02  0.211758D+01
      6  -0.617941D+01 -0.750884D+01  0.393780D+01  0.365545D+01  0.100849D+02
                36            37            38            39            40 
      1  -0.380321D+01  0.958328D+01  0.220525D+02 -0.250460D+01 -0.142605D+02
      2   0.117312D+00  0.229758D+01 -0.211955D+02  0.551034D+01  0.129825D+02
      3   0.368590D+01 -0.118809D+02 -0.857007D+00 -0.300574D+01  0.127796D+01
      4   0.152608D+01  0.913057D+01 -0.698965D+00  0.627938D+01  0.111495D+02
      5  -0.113290D+01 -0.853481D+01  0.881989D+01 -0.684483D+01 -0.886276D+00
      6   0.283709D+01  0.660141D+01 -0.291988D+01 -0.871093D+00 -0.836883D+01
                41            42            43            44            45 
      1   0.782935D+01 -0.106397D+02  0.780671D+01 -0.257947D+01 -0.798159D+01
      2   0.216139D+01  0.111054D+02 -0.103781D+02  0.742979D+01 -0.660706D+01
      3  -0.999074D+01 -0.465734D+00  0.257137D+01 -0.485032D+01  0.145886D+02
      4   0.185509D+01 -0.493971D+01  0.476739D+01 -0.109807D+02  0.461108D+01
      5  -0.414962D+01 -0.332515D+01  0.800416D+01  0.430750D+01 -0.170867D+01
      6   0.132478D+02 -0.630893D+01  0.571337D+01  0.140945D+01 -0.345438D+00
                46            47            48            49            50 
      1  -0.335272D+01 -0.170853D+02  0.803259D+01  0.251407D+02 -0.446807D+01
      2  -0.679843D+01  0.889904D+01 -0.396238D+01 -0.197846D+02  0.285637D+01
      3   0.101512D+02  0.818628D+01 -0.407021D+01 -0.535617D+01  0.161170D+01
      4  -0.123211D+02 -0.992215D+01 -0.111866D+01  0.119054D+01 -0.695600D+01
      5  -0.142785D+01 -0.371703D+01  0.896061D+01  0.731377D+01  0.607800D+01
      6  -0.422245D+01 -0.783015D+01  0.513566D+01  0.109508D+02  0.126175D+02
                51            52            53            54            55 
      1  -0.319466D+01 -0.271231D+02 -0.211171D+02  0.928638D+00 -0.469297D+02
      2   0.479826D+01  0.167592D+02  0.224273D+02 -0.291047D+01  0.200043D+02
      3  -0.160360D+01  0.103639D+02 -0.131022D+01  0.198183D+01  0.269254D+02
      4   0.599480D+01 -0.860855D+01  0.147417D+01  0.242230D+00  0.118499D+02
      5   0.165592D+00  0.102480D+02 -0.192079D+01 -0.355843D+01  0.179281D+02
      6   0.654330D+01 -0.399916D+01  0.527068D+01  0.543040D+00  0.131237D+01
                56            57            58            59            60 
      1   0.107991D+02  0.142163D+02  0.249033D+02 -0.397617D+01 -0.103383D+02
      2  -0.531259D+01 -0.644170D+01 -0.202124D+02 -0.390209D+01 -0.674836D+01
      3  -0.548655D+01 -0.777460D+01 -0.469096D+01  0.787826D+01  0.170866D+02
      4  -0.173490D+02 -0.726176D+01 -0.268279D+02 -0.400802D+02 -0.176758D+02
      5  -0.773633D+01 -0.121013D+02 -0.101561D+02 -0.169919D+02  0.197539D+02
      6  -0.383728D+01 -0.181759D+01 -0.118642D+02 -0.150475D+02 -0.688145D+01
                61            62            63            64            65 
      1   0.405354D+02 -0.113553D+02  0.371140D+01 -0.458981D+02 -0.244761D+02
      2  -0.117393D+02 -0.275795D+01  0.152783D+02  0.276830D+02  0.102453D+02
      3  -0.287960D+02  0.141133D+02 -0.189897D+02  0.182150D+02  0.142308D+02
      4  -0.103608D+02 -0.669420D+01  0.153035D+02 -0.259285D+02  0.134422D+02
      5  -0.209565D+02  0.152677D+02 -0.333364D+02 -0.618998D+02  0.547784D+01
      6  -0.176108D+01 -0.357706D+01  0.532347D+01  0.709060D+00  0.273373D+00
                66            67            68            69            70 
      1  -0.572459D+02 -0.438651D+02  0.109227D+02  0.533841D+01 -0.887914D+02
      2   0.281018D+02  0.264519D+02 -0.115612D+02 -0.477081D+01  0.432895D+02
      3   0.291441D+02  0.174132D+02  0.638524D+00 -0.567599D+00  0.455019D+02
      4   0.654132D+01  0.868925D+01  0.407571D+02  0.572046D+01  0.140392D+02
      5  -0.449780D+01  0.898047D+01  0.432301D+01 -0.286105D+02 -0.908391D+01
      6   0.990225D+00  0.151094D+01 -0.322890D+00  0.838220D-01 -0.322997D+01
                71            72            73            74            75 
      1   0.964511D+01 -0.150391D+02  0.804269D+01  0.281618D+02  0.392892D+02
      2  -0.646474D+01  0.109280D+02 -0.126303D+02 -0.949936D+01 -0.173596D+02
      3  -0.318037D+01  0.411111D+01  0.458757D+01 -0.186625D+02 -0.219295D+02
      4   0.111679D+02 -0.308361D+02  0.278208D+02 -0.269611D+02 -0.236699D+02
      5  -0.312502D+02  0.122150D+02  0.396931D+02 -0.147642D+02 -0.554080D+01
      6   0.135316D+01  0.212465D+01 -0.193326D+02  0.500423D+01  0.760340D-01
                76            77            78            79            80 
      1   0.300840D+02 -0.161210D+02 -0.121507D+02  0.497845D+02 -0.207368D+02
      2  -0.131122D+02  0.195121D+02  0.790637D+01 -0.215899D+02  0.120252D+02
      3  -0.169718D+02 -0.339106D+01  0.424429D+01 -0.281946D+02  0.871159D+01
      4  -0.191018D+02 -0.171807D+02 -0.474538D+01 -0.288385D+02 -0.678130D+01
      5  -0.992473D+01 -0.492086D+01  0.289545D+02 -0.110802D+02  0.382361D+02
      6   0.367333D+01  0.562723D+01 -0.154875D+02  0.536832D+01 -0.182821D+02
                81            82            83            84            85 
      1   0.579180D+01  0.413387D+01  0.178579D+02  0.519285D+02  0.276768D+02
      2  -0.112311D+02  0.144529D+02 -0.130711D+02 -0.269923D+02 -0.228966D+02
      3   0.543925D+01 -0.185868D+02 -0.478681D+01 -0.249362D+02 -0.478029D+01
      4   0.387080D+02  0.195551D+02 -0.108160D+02 -0.572150D+01 -0.160487D+02
      5  -0.223564D+02  0.480616D+02 -0.115838D+02 -0.232739D+02 -0.226976D+02
      6   0.121988D+02 -0.342647D+01  0.250726D+01  0.324945D+01  0.355597D+01
                86            87            88            89            90 
      1  -0.112248D+02 -0.128713D+02  0.586743D+02 -0.802956D+01 -0.803296D+01
      2  -0.101038D+02  0.135314D+02 -0.316787D+02  0.102488D+02  0.542588D+01
      3   0.213286D+02 -0.660178D+00 -0.269956D+02 -0.221924D+01  0.260708D+01
      4  -0.603715D+02 -0.258551D+01 -0.101675D+02 -0.126325D+02  0.258146D+02
      5   0.126895D+01  0.289973D+02 -0.193267D+02  0.268239D+02 -0.207610D+01
      6   0.107491D+02  0.321389D+01  0.531828D+01  0.381093D+01 -0.929771D+01
                91            92            93            94            95 
      1   0.627387D+01  0.892089D+01  0.171659D+02  0.407069D+01  0.486017D+01
      2  -0.578353D+01 -0.455913D+01 -0.516592D+01  0.152542D+01  0.288346D+01
      3  -0.490348D+00 -0.436176D+01 -0.119999D+02 -0.559611D+01 -0.774363D+01
      4   0.817406D+01 -0.513089D+01 -0.447979D-01 -0.136766D+02  0.133366D+02
      5   0.139599D+02  0.160697D-01 -0.779174D+01 -0.901008D+01 -0.267622D+02
      6   0.122008D+01 -0.515839D+01 -0.667862D+00 -0.136474D+02  0.459381D+01
                96            97            98            99           100 
      1   0.410500D+01  0.305693D+02  0.141559D+01 -0.111694D+02 -0.408866D+01
      2   0.343323D+01 -0.120627D+02 -0.649552D+00  0.587595D+01 -0.800396D+00
      3  -0.753823D+01 -0.185066D+02 -0.766040D+00  0.529343D+01  0.488906D+01
      4  -0.260365D+02 -0.881552D+01 -0.215454D+02 -0.884227D+00 -0.144916D+02
      5  -0.931058D+01 -0.316066D+02 -0.511065D+00 -0.321614D+01  0.324400D+01
      6  -0.171048D+02 -0.384888D+01 -0.127474D+02 -0.456680D+01  0.143709D+01
               101           102           103           104           105 
      1  -0.100693D+02 -0.543470D+01 -0.243702D+02 -0.149883D+02  0.772892D+01
      2   0.497645D+01  0.877740D+00  0.150416D+02  0.216597D+01 -0.885319D+01
      3   0.509288D+01  0.455696D+01  0.932859D+01  0.128223D+02  0.112427D+01
      4  -0.149188D+02  0.269698D+01 -0.297453D+02 -0.210335D+02  0.190850D+02
      5   0.302282D+01  0.752012D+01  0.143989D+02  0.189088D+02 -0.125715D+02
      6   0.806229D+01 -0.784157D+00  0.932709D+01  0.403444D+01 -0.100491D+02
               106           107           108           109           110 
      1   0.723270D+01  0.583651D+01  0.142794D+02  0.450598D+02  0.255871D+02
      2   0.119091D+00 -0.280871D+01 -0.830343D+01 -0.201978D+02 -0.970783D+01
      3  -0.735179D+01 -0.302780D+01 -0.597597D+01 -0.248620D+02 -0.158793D+02
      4   0.722986D+01  0.278978D+02 -0.611434D+01  0.351155D+02  0.296921D+02
      5   0.126686D+02 -0.573763D+01 -0.326715D+01 -0.173556D+02 -0.701484D+01
      6  -0.455592D+00 -0.547379D+01  0.638246D+00 -0.693021D+01 -0.598132D+01
               111           112           113           114           115 
      1  -0.108940D+02  0.436618D+02  0.127561D+02 -0.539532D+01 -0.174340D+02
      2   0.623245D+01 -0.179390D+02  0.565642D+01  0.351719D+01  0.114491D+02
      3   0.466158D+01 -0.257228D+02 -0.184126D+02  0.187813D+01  0.598484D+01
      4  -0.494042D+01  0.403923D+02  0.687134D+02 -0.146607D+02 -0.108863D+02
      5   0.121979D+02 -0.179908D+02 -0.147604D+02  0.248770D+02  0.215113D+02
      6   0.360382D+01 -0.682823D+01 -0.171704D+02  0.139049D+02  0.384980D+01
               116           117           118           119           120 
      1  -0.187410D+01  0.218098D+01  0.418943D+00 -0.129660D+02  0.115296D+02
      2   0.129358D+01 -0.724508D+01  0.816726D+01  0.288435D+01 -0.107996D+02
      3   0.580515D+00  0.506410D+01 -0.858620D+01  0.100817D+02 -0.729997D+00
      4  -0.223701D+02  0.199077D+02 -0.108872D+02  0.929773D+01 -0.617001D+01
      5   0.193058D+02 -0.218794D+02  0.180979D+02 -0.293783D+01 -0.181816D+02
      6   0.144525D+02 -0.966658D+01 -0.198586D+01  0.224480D-02  0.282487D+01
               121           122           123           124           125 
      1  -0.228757D+02  0.307868D+01 -0.285722D+01  0.217317D+02 -0.100708D+02
      2   0.655755D+01  0.129046D+02  0.168462D+01 -0.175208D+02  0.443923D+01
      3   0.163181D+02 -0.159832D+02  0.117260D+01 -0.421094D+01  0.563152D+01
      4   0.291016D+02 -0.444163D+02 -0.129416D+02 -0.726417D+01 -0.591756D+00
      5   0.858386D+01 -0.103412D+02 -0.123145D+02 -0.218128D+02 -0.312686D+01
      6  -0.529321D+01  0.120635D+02  0.119112D+02  0.379417D+01  0.727788D+01
               126           127           128           129           130 
      1  -0.240306D+02  0.903037D+00  0.943105D+00 -0.278546D+01  0.317716D+01
      2   0.161565D+02 -0.121792D+01  0.509058D-01 -0.159846D+01 -0.256141D+01
      3   0.787405D+01  0.314885D+00 -0.994011D+00  0.438391D+01 -0.615754D+00
      4  -0.210259D+01 -0.696071D+01  0.675714D+01 -0.428510D+01  0.797821D+01
      5   0.250434D+02  0.438041D+01 -0.398597D+01  0.511806D+01 -0.414648D+01
      6   0.125320D+01 -0.452558D+01  0.470998D+01 -0.413119D+01  0.618323D+01
               131           132           133           134           135 
      1  -0.154655D+02  0.124085D+02 -0.126852D+01  0.928513D+01 -0.112130D+02
      2   0.114827D+02 -0.372270D+01 -0.794269D+00 -0.452536D+01  0.943691D+00
      3   0.398290D+01 -0.868576D+01  0.206279D+01 -0.475977D+01  0.102693D+02
      4  -0.113271D+02  0.653678D+01 -0.657810D+01  0.854724D+01 -0.691162D+01
      5   0.471921D+01 -0.441667D+01  0.536762D+01 -0.486150D+01  0.731272D+01
      6  -0.166750D+02  0.138862D+02 -0.562609D+01  0.123815D+02 -0.127908D+02
               136           137           138           139           140 
      1   0.493256D+01 -0.177902D+01  0.145610D+00 -0.392035D+01 -0.120559D+02
      2   0.691821D+00  0.509081D+01 -0.313802D+00  0.656026D+01  0.170524D+02
      3  -0.562438D+01 -0.331179D+01  0.168192D+00 -0.263991D+01 -0.499648D+01
      4   0.911143D+01  0.817915D+01 -0.192483D+01  0.101485D+02  0.130360D+02
      5  -0.623667D+01 -0.341932D+01  0.337337D+01 -0.558169D+01 -0.707381D+01
      6  -0.216534D+01 -0.225188D+01  0.228558D+01 -0.484706D+01 -0.879027D+01
               141           142           143           144           145 
      1   0.455657D+01  0.151500D+01  0.513000D+01 -0.337490D+01 -0.286514D+01
      2  -0.329227D+01 -0.186715D+01 -0.548852D+01  0.224298D+01  0.354504D+01
      3  -0.126430D+01  0.352155D+00  0.358513D+00  0.113191D+01 -0.679908D+00
      4  -0.350444D+01 -0.321966D+01 -0.290464D+01  0.259378D+01 -0.806513D+01
      5   0.527229D+01  0.278327D+01  0.308955D+01 -0.292465D+01  0.466410D+01
      6   0.636397D+01  0.263829D+01  0.512476D+01 -0.378282D+01 -0.631042D+01
               146           147           148           149           150 
      1   0.464736D+01 -0.417756D+01  0.664259D+01 -0.230608D+02  0.145370D+02
      2  -0.514160D+01  0.191382D+01 -0.748110D+01  0.259921D+02 -0.112698D+02
      3   0.494242D+00  0.226374D+01  0.838509D+00 -0.293123D+01 -0.326724D+01
      4   0.921681D+01 -0.582833D+01  0.880920D+01 -0.128928D+02  0.677607D+01
      5  -0.396902D+01  0.488338D+01 -0.388561D+01  0.346812D+01 -0.346580D+01
      6   0.645300D+01 -0.595259D+01  0.729631D+01 -0.200545D+02  0.154161D+02
               151           152           153           154           155 
      1  -0.475357D+01  0.145698D+02 -0.119843D+02  0.301230D+01 -0.353174D+01
      2   0.476325D+01 -0.139616D+02  0.707499D+01  0.645247D+01  0.124882D+02
      3  -0.968106D-02 -0.608211D+00  0.490928D+01 -0.946477D+01 -0.895648D+01
      4  -0.668959D+01  0.942749D+01 -0.672492D+01  0.153359D+02  0.154305D+02
      5   0.383590D+01 -0.359762D+01  0.475565D+01 -0.573700D+01 -0.377972D+01
      6  -0.592289D+01  0.140116D+02 -0.131226D+02 -0.168156D+01 -0.856937D+00
               156           157           158           159           160 
      1  -0.109084D+01 -0.260695D+01 -0.166627D+02  0.349901D+01  0.325954D+01
      2  -0.664232D+00  0.124030D+02  0.320618D+02 -0.537156D+01 -0.382699D+01
      3   0.175507D+01 -0.979609D+01 -0.153991D+02  0.187255D+01  0.567449D+00
      4  -0.297815D+01  0.171582D+02  0.243322D+02 -0.533339D+01 -0.319792D+01
      5   0.352941D+01 -0.633695D+01 -0.745760D+01  0.513917D+01  0.258933D+01
      6   0.278435D+01 -0.413631D+01 -0.770032D+01  0.626533D+01  0.288426D+01
               161           162           163           164           165 
      1   0.681551D+01 -0.287710D+01  0.130451D+02  0.772863D+01  0.262994D+00
      2  -0.990210D+01  0.335669D+01 -0.262771D+01 -0.229780D+01 -0.647032D+00
      3   0.308658D+01 -0.479590D+00 -0.104174D+02 -0.543083D+01  0.384038D+00
      4  -0.481167D+01  0.384014D+01  0.159619D+02  0.182648D+02  0.713958D+01
      5   0.393318D+01 -0.232552D+01  0.477797D+01  0.821772D+01  0.840149D+01
      6   0.510017D+01 -0.330167D+01  0.574269D+01  0.494395D+01  0.292310D+01
               166           167           168           169           170 
      1   0.124764D+02 -0.731023D+01 -0.272142D+01 -0.739131D+01 -0.134114D+01
      2  -0.138328D+01  0.180009D+02  0.325275D+01  0.256179D+01  0.476885D+00
      3  -0.110931D+02 -0.106907D+02 -0.531326D+00  0.482952D+01  0.864255D+00
      4   0.258742D+02  0.514570D+02  0.188203D+02  0.545916D+01  0.733567D+01
      5   0.128167D+02  0.183857D+02  0.122391D+02  0.770986D+01  0.797454D+01
      6   0.997065D+01  0.233739D+02  0.134217D+02  0.337197D+01  0.909066D+01
               171           172           173           174           175 
      1  -0.235825D+01  0.479840D+01 -0.381858D+01  0.610011D+01 -0.122911D+02
      2  -0.695415D+00 -0.747323D+01  0.258206D+01 -0.545590D+01  0.100716D+02
      3   0.305367D+01  0.267483D+01  0.123653D+01 -0.644207D+00  0.221948D+01
      4   0.850500D+01 -0.512176D+01  0.478376D+01 -0.719435D+00  0.683041D+01
      5   0.103942D+02  0.987701D+01 -0.179239D+01  0.144888D+02 -0.751947D+01
      6   0.600251D+01 -0.226505D+01  0.111086D+01 -0.989666D-01  0.286605D+01
               176           177           178           179           180 
      1  -0.152900D+01  0.547716D+01  0.438405D+01  0.262759D+01 -0.177267D+02
      2  -0.189850D+01  0.677771D+01 -0.109023D+02  0.341027D+01 -0.240723D+02
      3   0.342750D+01 -0.122549D+02  0.651824D+01 -0.603785D+01  0.417990D+02
      4  -0.338806D+01  0.997665D+01 -0.153451D+01  0.719309D+01 -0.805511D+01
      5   0.102706D+02 -0.189396D+02  0.221646D+02 -0.805423D+01  0.542961D+02
      6  -0.315668D+01  0.715620D+01 -0.100788D+01  0.600473D+01 -0.240584D+01
               181           182           183           184           185 
      1   0.121348D+03  0.121267D+02  0.385858D+02  0.166630D+02  0.140017D+02
      2  -0.649793D+02 -0.739848D+01 -0.215486D+02 -0.865105D+01 -0.558748D+01
      3  -0.563685D+02 -0.472825D+01 -0.170372D+02 -0.801191D+01 -0.841425D+01
      4   0.108071D+02  0.134530D+02  0.178583D+01  0.198643D+02  0.819642D+00
      5   0.445322D+02  0.255923D+01  0.269789D+02  0.289902D+01  0.698237D+01
      6   0.131647D+01  0.119936D+01  0.941937D+00  0.314021D+01  0.121600D+01
               186           187           188           189           190 
      1   0.288436D+01  0.455878D+02  0.189615D+01  0.264256D+02 -0.393427D-01
      2  -0.141490D+01 -0.271453D+02 -0.164080D+01 -0.188028D+02  0.151794D+01
      3  -0.146946D+01 -0.184426D+02 -0.255342D+00 -0.762277D+01 -0.147860D+01
      4   0.689338D+01  0.813098D+00  0.541446D+01  0.601050D+01 -0.932845D+01
      5   0.679007D+01  0.341838D+02  0.676014D+01  0.244754D+02  0.487345D+01
      6   0.316071D+01  0.876040D+00  0.232490D+01  0.941618D+00 -0.261264D+01
               191           192           193           194           195 
      1  -0.969599D+01  0.505659D+01 -0.658917D+01 -0.830064D+01  0.777545D+01
      2   0.461924D+01 -0.310524D+01  0.143808D+01  0.152072D+02 -0.105590D+02
      3   0.507675D+01 -0.195136D+01  0.515109D+01 -0.690660D+01  0.278354D+01
      4   0.769081D+01 -0.254416D+01  0.103512D+02 -0.243611D+02  0.176138D+02
      5  -0.151446D+01  0.550041D+01 -0.307912D+01  0.179305D+02 -0.187512D+02
      6  -0.132448D+00 -0.453807D+00  0.153266D+01 -0.141060D+02  0.156299D+02
               196           197           198           199           200 
      1   0.703797D+01  0.968942D+01 -0.113374D+02 -0.403812D+02 -0.120002D+02
      2  -0.242188D+01 -0.135287D+02  0.583551D+01  0.220503D+02  0.116414D+02
      3  -0.461609D+01  0.383928D+01  0.550194D+01  0.183309D+02  0.358884D+00
      4  -0.845821D+01  0.284806D+02 -0.265474D+02  0.108228D+02 -0.719800D+01
      5   0.850298D+01 -0.264890D+02  0.427246D+02 -0.816655D+01 -0.112975D+01
      6  -0.333410D+01  0.185555D+02 -0.258611D+02  0.799901D+01  0.334089D+01
               201           202           203           204           205 
      1  -0.160794D+02 -0.798571D+01 -0.970167D+01 -0.276094D+01 -0.178320D+02
      2   0.782413D+01  0.712863D+01  0.837008D+01  0.316102D+01  0.852267D+01
      3   0.825522D+01  0.857078D+00  0.133159D+01 -0.400082D+00  0.930934D+01
      4   0.359626D+01  0.614948D+00 -0.192195D+01 -0.323151D+00  0.537322D+01
      5  -0.663065D+01 -0.110837D+00 -0.156417D+01 -0.449843D+01 -0.302168D+01
      6   0.675864D+01  0.255639D+01  0.232266D+01  0.517245D+01  0.447368D+01
               206           207           208           209           210 
      1  -0.536728D+01 -0.137934D+02  0.554962D+02 -0.253003D+02 -0.209512D+02
      2   0.519028D+01  0.690019D+01 -0.197430D+02  0.281319D+01  0.905667D+01
      3   0.176998D+00  0.689323D+01 -0.357533D+02  0.224871D+02  0.118945D+02
      4  -0.457970D+01 -0.410394D+01 -0.488351D+02  0.390860D+02  0.184407D+02
      5  -0.748616D+01 -0.581641D+01 -0.277612D+02  0.138889D+02  0.198689D+02
      6   0.680483D+01  0.510677D+01  0.119047D+02 -0.734095D+01 -0.861690D+01
               211           212           213           214           215 
      1  -0.182416D+02  0.147860D+02  0.529166D+01 -0.264911D+02  0.105351D+02
      2   0.279354D+00  0.298520D+01  0.958020D+00  0.106521D+02  0.241915D+00
      3   0.179623D+02 -0.177712D+02 -0.624968D+01  0.158390D+02 -0.107770D+02
      4   0.333329D+02 -0.312065D+02 -0.131722D+02  0.265102D+02 -0.228936D+02
      5   0.111183D+02 -0.117193D+02 -0.111162D+02  0.247911D+02 -0.188801D+02
      6  -0.692064D+01  0.778945D+01  0.823101D+01 -0.108212D+02  0.112232D+02
               216           217           218           219           220 
      1   0.128358D+02 -0.440009D+02 -0.324619D+01 -0.208711D+02 -0.502780D+01
      2  -0.528495D+01  0.155359D+02  0.148007D+01  0.226334D+01  0.296294D+01
      3  -0.755081D+01  0.284649D+02  0.176612D+01  0.186078D+02  0.206485D+01
      4  -0.218204D+02 -0.768437D+01 -0.510719D+01  0.560315D+00 -0.392357D+00
      5  -0.203588D+02  0.210516D+01  0.283708D+01 -0.953428D+01  0.148117D+01
      6   0.959525D+01  0.812378D+00  0.341048D+01 -0.149970D+01  0.182932D+01
               221           222           223           224           225 
      1  -0.535651D+01 -0.166836D+01 -0.200911D+02  0.344514D+00 -0.186814D+02
      2   0.398067D+01 -0.137661D+01  0.462707D+01 -0.135939D+01 -0.123208D+01
      3   0.137584D+01  0.304496D+01  0.154640D+02  0.101487D+01  0.199135D+02
      4   0.500554D+01 -0.281111D+01 -0.122828D+01 -0.287226D+01 -0.291665D+01
      5  -0.203582D+01 -0.541136D+01 -0.241861D+00 -0.124977D+01 -0.122832D+02
      6  -0.787119D+00  0.302311D+01 -0.138653D+01  0.268312D+01 -0.981923D+00
               226           227           228           229           230 
      1   0.919851D+01  0.114169D+02 -0.600606D+01  0.148104D+02  0.241684D+01
      2  -0.291677D+01 -0.241733D+01  0.359528D+01 -0.242863D+01  0.221303D+02
      3  -0.628174D+01 -0.899952D+01  0.241078D+01 -0.123817D+02 -0.245472D+02
      4   0.144023D+02  0.177536D+02 -0.101931D+01  0.259682D+02  0.777309D+02
      5  -0.742336D+01 -0.224930D+01  0.613906D+01 -0.680362D+01 -0.998801D+01
      6  -0.214844D+01 -0.273365D+01  0.888995D+00 -0.549570D+01 -0.192789D+02
               231           232           233           234           235 
      1   0.813936D+00 -0.142424D+01  0.289133D+01 -0.390479D-01  0.676528D+02
      2   0.110814D+01  0.169812D+01  0.664025D+00  0.965186D+00 -0.458421D+02
      3  -0.192208D+01 -0.273883D+00 -0.355535D+01 -0.926138D+00 -0.218107D+02
      4  -0.806964D+01  0.147254D+01  0.446907D+01  0.621980D+01 -0.745868D+01
      5   0.110139D+02  0.493076D+01  0.593758D+01  0.399835D-01 -0.559873D+02
      6   0.751746D+01  0.949910D+00  0.580087D+01 -0.857633D+00  0.249384D+01
               236           237           238           239           240 
      1  -0.990103D+01 -0.360986D+02 -0.221802D+02  0.111116D+02  0.102962D+02
      2   0.711869D+01  0.285559D+02  0.153764D+02 -0.559401D+01 -0.102492D+02
      3   0.278234D+01  0.754266D+01  0.680374D+01 -0.551761D+01 -0.469864D-01
      4   0.137051D+02  0.326426D+01  0.151668D+02 -0.484977D+01 -0.842321D+01
      5   0.714801D+01  0.420102D+02  0.195134D+02 -0.106304D+02 -0.199949D+02
      6  -0.500189D+01 -0.104157D+01 -0.570209D+01  0.307683D+01  0.443567D+01
               241           242           243           244           245 
      1  -0.340082D+02  0.337428D+01  0.231072D+02  0.226721D+01 -0.719252D+01
      2   0.286976D+02 -0.433546D+01 -0.268770D+02 -0.534352D+00  0.352305D+01
      3   0.531060D+01  0.961183D+00  0.376982D+01 -0.173286D+01  0.366947D+01
      4   0.344189D+01 -0.585488D+01 -0.617287D+01 -0.117259D+02  0.932501D+01
      5   0.446991D+02 -0.851305D+01 -0.447273D+02  0.574329D+01 -0.498644D+01
      6  -0.157377D+01  0.386684D+01  0.182424D+01 -0.644236D+01  0.308152D+01
               246           247           248           249           250 
      1   0.106655D+01 -0.954642D+01 -0.457907D+01  0.396376D+01 -0.992545D-01
      2  -0.129521D+01  0.386094D+01  0.707822D+01 -0.901096D+00 -0.188172D+01
      3   0.228657D+00  0.568548D+01 -0.249915D+01 -0.306267D+01  0.198098D+01
      4  -0.450051D+01  0.134889D+02 -0.292385D+02  0.132526D+02 -0.569992D+01
      5   0.758892D+01 -0.670278D+01  0.135796D+02 -0.126452D+02  0.115506D+02
      6  -0.192409D+01  0.528620D+01 -0.161225D+02  0.102175D+02 -0.355498D+01
               251           252           253           254           255 
      1   0.200280D+01 -0.298523D+01 -0.316852D+02 -0.113583D+02 -0.455086D+02
      2   0.122437D+01 -0.350547D+01  0.362161D+02  0.108149D+02  0.137634D+02
      3  -0.322717D+01  0.649070D+01 -0.453093D+01  0.543388D+00  0.317452D+02
      4   0.137773D+02 -0.102783D+02 -0.175828D+02  0.281717D+01 -0.130762D+02
      5  -0.988758D+01  0.154515D+02 -0.556701D+02 -0.845922D+01 -0.153095D+02
      6   0.106115D+02 -0.831897D+01 -0.115776D+02  0.153826D+01  0.491175D+00
               256           257           258           259           260 
      1  -0.222167D+01  0.278060D+01 -0.145214D+02 -0.387664D+02 -0.129590D+02
      2   0.363193D+01 -0.202085D+02  0.939997D+01  0.105877D+02  0.144729D+02
      3  -0.141026D+01  0.174279D+02  0.512139D+01  0.281786D+02 -0.151387D+01
      4   0.114283D+02 -0.700253D+01  0.189614D+02 -0.651277D+01  0.175495D+02
      5   0.172172D+01  0.230783D+02  0.101477D+02 -0.394505D+01  0.355892D+01
      6   0.944044D+01  0.396558D+01  0.174249D+02  0.545110D+01  0.130611D+02
               261           262           263           264           265 
      1   0.111630D+02  0.343920D+02 -0.820096D+01 -0.216991D+02  0.386715D+01
      2   0.485206D+01 -0.225045D+02  0.462454D+01  0.157374D+02 -0.473803D+01
      3  -0.160151D+02 -0.118875D+02  0.357642D+01  0.596169D+01  0.870875D+00
      4   0.916521D+01 -0.154951D+02  0.101530D+02  0.998469D+01  0.512650D+01
      5   0.260314D+01 -0.312177D+02  0.852063D+01  0.272709D+02 -0.435739D+01
      6   0.344995D+01  0.574037D+01 -0.281255D+01 -0.499645D+01 -0.174349D+01
               266           267           268           269           270 
      1   0.188597D+01 -0.384445D+01 -0.269477D+02  0.619033D+01  0.197859D+02
      2  -0.729861D+00  0.458990D+01  0.217178D+02 -0.432565D+01 -0.219391D+02
      3  -0.115611D+01 -0.745442D+00  0.522986D+01 -0.186468D+01  0.215327D+01
      4  -0.488135D+01 -0.394953D+01  0.143881D+02 -0.123420D+02 -0.147302D+02
      5  -0.420212D+01  0.408962D+01  0.384971D+02 -0.126462D+02 -0.448669D+02
      6   0.186822D+01  0.258644D+01 -0.697743D+01  0.527061D+01  0.931281D+01
               271           272           273           274           275 
      1   0.978446D+00  0.771444D+01  0.349955D+01  0.765795D+01 -0.170812D+02
      2   0.145058D+01 -0.704873D+01  0.215226D+00 -0.471427D+01  0.352027D+02
      3  -0.242903D+01 -0.665710D+00 -0.371478D+01 -0.294368D+01 -0.181215D+02
      4   0.439419D+01  0.601923D+00  0.903392D+00  0.601734D+01  0.286748D+02
      5   0.253025D+01  0.305311D+01  0.151211D+01  0.513871D+01 -0.592573D+01
      6   0.195809D+01 -0.201260D+01 -0.110653D+01  0.549521D+00  0.143035D+02
               276           277           278           279           280 
      1   0.172287D+00 -0.125486D+01  0.464758D+01 -0.210868D+01  0.676192D+02
      2  -0.668738D+01  0.217050D+01 -0.105153D+02  0.489977D+01 -0.478068D+02
      3   0.651509D+01 -0.915644D+00  0.586769D+01 -0.279109D+01 -0.198124D+02
      4  -0.256892D+01 -0.154286D+01 -0.100844D+02  0.143139D+01  0.273093D+02
      5   0.728960D+01 -0.938739D+00  0.279864D+01 -0.821352D+01  0.645809D+02
      6   0.345890D+01 -0.115252D+01 -0.165816D+01 -0.272375D+01  0.120980D+02
               281           282           283           284           285 
      1   0.693244D+01  0.230277D+02  0.862138D+00  0.570560D+01  0.160613D+01
      2  -0.371562D+01 -0.229365D+02  0.149422D+01 -0.110812D+01 -0.138691D+00
      3  -0.321682D+01 -0.911702D-01 -0.235636D+01 -0.459748D+01 -0.146744D+01
      4   0.150852D+02  0.135152D+02  0.127132D+02  0.656716D+01  0.487185D+01
      5   0.120008D+02  0.394461D+02  0.313853D+01  0.646053D+01  0.113639D+01
      6   0.878918D+01  0.923781D+01  0.687191D+01  0.313015D+01  0.386019D+01
               286           287           288           289           290 
      1   0.169839D+02  0.228469D+01  0.858148D+01 -0.148908D+02  0.495513D+01
      2  -0.186272D+02 -0.298544D+01 -0.165855D+02 -0.222803D+01 -0.281056D+01
      3   0.164329D+01  0.700747D+00  0.800404D+01  0.171188D+02 -0.214457D+01
      4   0.992375D+01  0.450377D+01  0.661971D+01 -0.332727D+01 -0.264513D+01
      5   0.335579D+02  0.622058D+01  0.278224D+02  0.991353D+00 -0.106408D+01
      6   0.686394D+01  0.417937D+01  0.704624D+01  0.367692D+01 -0.572150D+01
               291           292           293           294           295 
      1   0.272210D+02 -0.123021D+01 -0.649914D+01  0.202275D+01  0.185631D+02
      2   0.190985D+01 -0.385171D+00  0.259128D+01  0.258671D+01 -0.113697D+01
      3  -0.291308D+02  0.161538D+01  0.390786D+01 -0.460946D+01 -0.174261D+02
      4   0.313401D+01 -0.129982D+01 -0.374818D+00  0.839751D+00  0.464164D+01
      5  -0.245080D+01 -0.102980D+01 -0.145094D+01 -0.361753D+01  0.434974D+01
      6  -0.727005D+01 -0.346800D+01  0.719738D+00  0.496483D+01 -0.294619D+01
               296           297 
      1  -0.353657D+01 -0.359196D+02
      2   0.152883D+00 -0.123102D+02
      3   0.338369D+01  0.482299D+02
      4   0.182570D+01 -0.263990D+01
      5   0.209968D+01  0.170175D+02
      6   0.657879D+01  0.116881D+02
 Leave Link  716 at Wed Sep  8 17:38:59 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.212576D+03  0.612240D+01  0.767583D+01
      2   0.612240D+01  0.154918D+03 -0.872418D+01
      3   0.767583D+01 -0.872418D+01  0.140064D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.670688D+01  0.486126D+01 -0.720900D+00
      2  -0.106401D+02  0.909250D+01 -0.530795D+02
      3  -0.343920D+02  0.528539D+02 -0.171194D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.202811D+03  0.220011D+02 -0.418002D+02
      2   0.897275D+02 -0.237080D+02 -0.454555D+01
      3   0.113083D+03  0.170691D+01  0.463458D+02
      4   0.316786D+02 -0.114536D+03  0.256336D+02
      5   0.199114D+02  0.286723D+02 -0.102700D+03
      6   0.533720D+01  0.236703D+02  0.278068D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.824366D+01  0.132587D+01  0.235778D+01  0.111112D+02 -0.292653D+00
      2   0.132587D+01 -0.184456D+01 -0.111453D+00 -0.292653D+00  0.213716D+01
      3   0.235778D+01 -0.111453D+00  0.322480D+00  0.115857D+01  0.942137D+00
                 6             7             8             9            10 
      1   0.115857D+01 -0.689455D+00 -0.179891D+01  0.172305D+00 -0.275699D+02
      2   0.942137D+00 -0.179891D+01  0.854809D+00  0.531231D+00  0.631908D-01
      3  -0.524461D+00  0.172305D+00  0.531231D+00 -0.403226D+01 -0.335942D+01
                11            12            13            14            15 
      1   0.631908D-01 -0.335942D+01  0.169136D+00 -0.143410D+01 -0.167364D+01
      2  -0.257793D+01  0.693438D+00 -0.143410D+01 -0.167779D+01 -0.326200D+00
      3   0.693438D+00 -0.201153D+01 -0.167364D+01 -0.326200D+00 -0.109131D+01
                16            17            18            19            20 
      1  -0.650781D+01 -0.165521D+01 -0.407212D+01 -0.613462D+01 -0.636355D+00
      2  -0.165521D+01 -0.871832D+00 -0.588348D+00 -0.636355D+00  0.733511D+00
      3  -0.407212D+01 -0.588348D+00 -0.300202D+01 -0.256400D+01 -0.128375D+01
                21            22            23            24            25 
      1  -0.256400D+01  0.875748D+01  0.361971D+00  0.268091D+01 -0.870317D+01
      2  -0.128375D+01  0.361971D+00  0.286283D+01  0.123906D+01 -0.712346D+00
      3   0.240128D+01  0.268091D+01  0.123906D+01  0.895488D+00 -0.483153D+00
                26            27            28            29            30 
      1  -0.712346D+00 -0.483153D+00  0.234089D+02  0.143704D+01  0.438501D+01
      2   0.177696D+01  0.848186D+00  0.143704D+01  0.233307D+01 -0.250833D-01
      3   0.848186D+00 -0.178611D+01  0.438501D+01 -0.250833D-01  0.280833D+01
                31            32            33            34            35 
      1   0.111077D+01  0.114511D+01  0.163800D+01  0.404061D+01  0.196610D+01
      2   0.114511D+01 -0.672579D+00  0.649166D+00  0.196610D+01  0.210493D+01
      3   0.163800D+01  0.649166D+00  0.202603D+01  0.497454D+01  0.723205D+00
                36            37            38            39            40 
      1   0.497454D+01 -0.958585D+01 -0.133551D+01 -0.293278D+01 -0.117104D+02
      2   0.723205D+00 -0.133551D+01  0.360244D+01  0.141011D+00 -0.866051D+00
      3   0.221858D+01 -0.293278D+01  0.141011D+00 -0.583458D+00 -0.106785D+01
                41            42            43            44            45 
      1  -0.866051D+00 -0.106785D+01  0.706274D+00  0.186384D+01  0.316448D+00
      2  -0.157710D+01 -0.148761D+01  0.186384D+01 -0.866706D+00 -0.919479D+00
      3  -0.148761D+01 -0.175350D+00  0.316448D+00 -0.919479D+00  0.416312D+01
                46            47            48            49            50 
      1   0.711845D+01  0.589552D+00  0.270770D+01 -0.780766D+01  0.929868D+00
      2   0.589552D+00 -0.185705D+01  0.136845D+01  0.929868D+00 -0.207829D+01
      3   0.270770D+01  0.136845D+01 -0.197447D+01 -0.246992D+01 -0.128679D+01
                51            52            53            54            55 
      1  -0.246992D+01  0.104201D+02  0.355477D+00 -0.126603D+00  0.157409D+02
      2  -0.128679D+01  0.355477D+00 -0.339449D+01 -0.120355D+01 -0.173103D+01
      3  -0.113978D+01 -0.126603D+00 -0.120355D+01  0.137168D+01 -0.135312D+01
                56            57            58            59            60 
      1  -0.173103D+01 -0.135312D+01 -0.407591D+01  0.372306D+01  0.141575D+01
      2   0.213399D+01  0.103989D+01  0.372306D+01  0.504774D+01  0.231867D+01
      3   0.103989D+01  0.163417D+01  0.141575D+01  0.231867D+01 -0.288922D+01
                61            62            63            64            65 
      1  -0.513821D+01  0.163625D+01  0.357305D+01 -0.833666D+00  0.324778D+01
      2   0.163625D+01  0.778374D+00 -0.219846D+01  0.324778D+01 -0.146455D+01
      3   0.357305D+01 -0.219846D+01  0.485075D+01  0.605781D+01 -0.837165D+00
                66            67            68            69            70 
      1   0.605781D+01  0.759766D+01 -0.128035D+01 -0.104867D+01  0.136180D+02
      2  -0.837165D+00 -0.128035D+01 -0.509572D+01 -0.772274D+00 -0.180979D+01
      3   0.245824D+00 -0.104867D+01 -0.772274D+00  0.357741D+01  0.592951D+00
                71            72            73            74            75 
      1  -0.180979D+01  0.592951D+00  0.238328D+00 -0.350541D+01 -0.487278D+01
      2  -0.112787D+01  0.375493D+01 -0.350541D+01  0.209099D+01  0.138246D+01
      3   0.375493D+01 -0.165288D+01 -0.487278D+01  0.138246D+01  0.247626D+00
                76            77            78            79            80 
      1  -0.395416D+01  0.106251D+01  0.845630D+00 -0.650440D+01  0.164845D+01
      2   0.106251D+01  0.309384D+01  0.959486D+00  0.164845D+01  0.141290D+01
      3   0.845630D+00  0.959486D+00 -0.353500D+01  0.818882D+00 -0.462929D+01
                81            82            83            84            85 
      1   0.818882D+00  0.521768D+00 -0.215313D+01 -0.552472D+01 -0.338247D+01
      2  -0.462929D+01 -0.215313D+01  0.137247D+01  0.877931D+00  0.189911D+01
      3   0.278448D+01 -0.552472D+01  0.877931D+00  0.105176D+01  0.188129D+01
                86            87            88            89            90 
      1   0.189911D+01  0.188129D+01 -0.668206D+01  0.153750D+01  0.336760D+00
      2   0.667143D+01  0.265881D+00  0.153750D+01  0.142770D+01 -0.304783D+01
      3   0.265881D+00 -0.319736D+01  0.336760D+00 -0.304783D+01  0.702828D+00
                91            92            93            94            95 
      1  -0.316280D+01  0.888579D+00  0.697185D+00 -0.179876D+01 -0.246850D+01
      2   0.888579D+00 -0.127427D+01 -0.435492D+00 -0.246850D+01  0.170453D+01
      3   0.697185D+00 -0.435492D+00 -0.227012D+01 -0.185420D+01 -0.423375D+01
                96            97            98            99           100 
      1  -0.185420D+01  0.416122D+01 -0.133761D+01 -0.504903D+01 -0.112844D+01
      2  -0.423375D+01 -0.133761D+01 -0.336093D+01 -0.570763D+00 -0.195428D+01
      3  -0.235474D+01 -0.504903D+01 -0.570763D+00 -0.737332D+00 -0.383451D+00
               101           102           103           104           105 
      1  -0.195428D+01 -0.383451D+00 -0.349452D+01 -0.181041D+01  0.164614D+01
      2  -0.821801D+00  0.233166D+00 -0.181041D+01 -0.255982D+01  0.235849D+01
      3   0.233166D+00  0.162572D+01  0.164614D+01  0.235849D+01 -0.104955D+01
               106           107           108           109           110 
      1  -0.794051D+00  0.951465D+00  0.161675D+01  0.467022D+01  0.361216D+01
      2   0.951465D+00  0.177495D+01 -0.560658D+00  0.361216D+01  0.221084D+01
      3   0.161675D+01 -0.560658D+00 -0.196058D+01 -0.146550D+01 -0.453147D+00
               111           112           113           114           115 
      1  -0.146550D+01  0.780802D+01  0.361236D+01 -0.161677D+01 -0.327245D+01
      2  -0.453147D+00  0.361236D+01  0.788877D+01 -0.163308D+01 -0.105475D+01
      3   0.485883D+00 -0.161677D+01 -0.163308D+01  0.285863D+01  0.172898D+01
               116           117           118           119           120 
      1  -0.105475D+01  0.172898D+01 -0.108927D+01 -0.114800D+01  0.189701D+01
      2  -0.208125D+01  0.230063D+01 -0.114800D+01 -0.769392D-01 -0.551175D+00
      3   0.230063D+01 -0.211601D+01  0.189701D+01 -0.551175D+00 -0.267308D+01
               121           122           123           124           125 
      1  -0.411904D+01  0.189072D+01  0.594919D+00  0.295334D+01 -0.836287D+00
      2   0.189072D+01 -0.480629D+01 -0.157873D+01 -0.836287D+00  0.302291D+00
      3   0.594919D+00 -0.157873D+01 -0.127329D+01 -0.265182D+01 -0.562381D+00
               126           127           128           129           130 
      1  -0.265182D+01 -0.190248D+01  0.137936D+01 -0.116698D+01  0.146563D+01
      2  -0.562381D+00  0.137936D+01 -0.985241D+00  0.895748D+00 -0.159729D+01
      3   0.296038D+01 -0.116698D+01  0.895748D+00 -0.119763D+01  0.113792D+01
               131           132           133           134           135 
      1  -0.159729D+01  0.113792D+01 -0.173963D+01  0.157585D+01 -0.130074D+01
      2   0.416203D+01 -0.279325D+01  0.157585D+01 -0.279569D+01  0.226652D+01
      3  -0.279325D+01  0.281735D+01 -0.130074D+01  0.226652D+01 -0.259307D+01
               136           137           138           139           140 
      1   0.388548D+01  0.213456D+01 -0.501819D+00  0.260149D+01  0.267566D+01
      2   0.213456D+01  0.205770D+01 -0.375054D+00  0.267566D+01  0.448909D+01
      3  -0.501819D+00 -0.375054D+00  0.503099D+00 -0.952244D+00 -0.144360D+01
               141           142           143           144           145 
      1  -0.952244D+00 -0.735222D+00 -0.827545D+00  0.363025D+00  0.189754D+01
      2  -0.144360D+01 -0.827545D+00 -0.186508D+01  0.764781D+00 -0.149645D+01
      3   0.121463D+01  0.363025D+00  0.764781D+00 -0.762162D+00  0.145407D+01
               146           147           148           149           150 
      1  -0.149645D+01  0.145407D+01 -0.148369D+01  0.183354D+01 -0.127521D+01
      2   0.143650D+01 -0.113312D+01  0.183354D+01 -0.529054D+01  0.303047D+01
      3  -0.113312D+01  0.129334D+01 -0.127521D+01  0.303047D+01 -0.270910D+01
               151           152           153           154           155 
      1   0.145632D+01 -0.160959D+01  0.118870D+01 -0.343350D+01 -0.243805D+01
      2  -0.160959D+01  0.327101D+01 -0.223113D+01 -0.243805D+01 -0.282931D+01
      3   0.118870D+01 -0.223113D+01  0.206762D+01  0.602768D+00  0.368429D+00
               156           157           158           159           160 
      1   0.602768D+00 -0.291867D+01 -0.323610D+01  0.963721D+00  0.488954D+00
      2   0.368429D+00 -0.323610D+01 -0.601384D+01  0.144122D+01  0.663724D+00
      3  -0.362569D+00  0.963721D+00  0.144122D+01 -0.104370D+01 -0.406871D+00
               161           162           163           164           165 
      1   0.663724D+00 -0.406871D+00 -0.257651D+01 -0.172894D+01 -0.335074D+00
      2   0.196077D+01 -0.748544D+00 -0.172894D+01 -0.165121D+01 -0.774549D+00
      3  -0.748544D+00  0.505223D+00 -0.335074D+00 -0.774549D+00 -0.751998D+00
               166           167           168           169           170 
      1  -0.394645D+01 -0.269406D+01 -0.132140D+01  0.156996D+01 -0.652858D+00
      2  -0.269406D+01 -0.710595D+01 -0.260384D+01 -0.652858D+00 -0.106815D+01
      3  -0.132140D+01 -0.260384D+01 -0.168182D+01 -0.841213D+00 -0.118369D+01
               171           172           173           174           175 
      1  -0.841213D+00 -0.111551D+01  0.724656D+00 -0.123933D+01  0.341353D+01
      2  -0.118369D+01  0.724656D+00 -0.400203D+00  0.633098D-01 -0.947856D+00
      3  -0.150406D+01 -0.123933D+01  0.633098D-01 -0.102319D+01  0.844326D+00
               176           177           178           179           180 
      1  -0.947856D+00  0.844326D+00 -0.204710D+01  0.264814D+00 -0.235186D+01
      2   0.560968D+00 -0.153634D+01  0.264814D+00 -0.104038D+01  0.123486D+01
      3  -0.153634D+01  0.276273D+01 -0.235186D+01  0.123486D+01 -0.837842D+01
               181           182           183           184           185 
      1  -0.112526D+02 -0.114366D+01 -0.379205D+01 -0.201270D+01 -0.163993D+01
      2  -0.114366D+01 -0.108953D+01 -0.193864D+00 -0.163993D+01  0.441048D-01
      3  -0.379205D+01 -0.193864D+00 -0.222847D+01 -0.144202D+00 -0.589372D+00
               186           187           188           189           190 
      1  -0.144202D+00 -0.532668D+01 -0.362682D-02 -0.282372D+01 -0.211996D+00
      2  -0.589372D+00 -0.362682D-02 -0.608208D+00 -0.723504D+00  0.109474D+01
      3  -0.794108D+00 -0.282372D+01 -0.723504D+00 -0.224020D+01 -0.565976D+00
               191           192           193           194           195 
      1   0.109474D+01 -0.565976D+00  0.103850D+01 -0.671735D+00  0.232042D+00
      2  -0.354076D+00  0.133931D-01 -0.671735D+00  0.317029D+01 -0.231365D+01
      3   0.133931D-01 -0.240751D+00  0.232042D+00 -0.231365D+01  0.244760D+01
               196           197           198           199           200 
      1  -0.110014D+01  0.559315D+00 -0.503708D+00  0.598559D+01  0.390325D+00
      2   0.559315D+00 -0.361995D+01  0.330932D+01  0.390325D+00  0.184553D+01
      3  -0.503708D+00  0.330932D+01 -0.544245D+01  0.168551D+01  0.430670D+00
               201           202           203           204           205 
      1   0.168551D+01  0.352079D+00  0.966471D+00  0.228941D+00  0.198107D+01
      2   0.430670D+00  0.966471D+00  0.842326D+00  0.382909D+00  0.380501D+00
      3   0.140212D+01  0.228941D+00  0.382909D+00  0.784142D+00  0.100697D+01
               206           207           208           209           210 
      1   0.380501D+00  0.100697D+01 -0.632047D+01  0.369993D+01  0.267830D+01
      2   0.976733D+00  0.112892D+01  0.369993D+01 -0.325682D+01 -0.136419D+01
      3   0.112892D+01  0.133726D+01  0.267830D+01 -0.136419D+01 -0.179597D+01
               211           212           213           214           215 
      1   0.264584D+01 -0.271713D+01 -0.110466D+01  0.349264D+01 -0.199897D+01
      2  -0.271713D+01  0.275145D+01  0.118963D+01 -0.199897D+01  0.208429D+01
      3  -0.110466D+01  0.118963D+01  0.119316D+01 -0.233734D+01  0.204468D+01
               216           217           218           219           220 
      1  -0.233734D+01  0.621817D+01  0.441141D+00  0.136473D+01  0.494409D+00
      2   0.204468D+01  0.441141D+00  0.775859D+00 -0.168408D+00  0.308818D+00
      3   0.203236D+01  0.136473D+01 -0.168408D+00  0.236965D+01  0.626347D-01
               221           222           223           224           225 
      1   0.308818D+00  0.626347D-01  0.158260D+01 -0.971954D-01  0.141346D+01
      2  -0.469588D+00  0.487088D+00 -0.971954D-01  0.551907D+00  0.203348D+00
      3   0.487088D+00  0.758251D+00  0.141346D+01  0.203348D+00  0.262794D+01
               226           227           228           229           230 
      1  -0.107499D+01 -0.135446D+01  0.698632D+00 -0.204649D+01 -0.215186D+01
      2  -0.135446D+01 -0.144977D+01  0.670135D-01 -0.215186D+01 -0.870138D+01
      3   0.698632D+00  0.670135D-01 -0.428267D+00  0.441032D+00  0.886304D+00
               231           232           233           234           235 
      1   0.441032D+00  0.225501D+00 -0.114833D+00 -0.292858D+00 -0.705133D+01
      2   0.886304D+00 -0.114833D+00 -0.448434D+00 -0.694835D+00  0.101402D+01
      3  -0.127049D+01 -0.292858D+00 -0.694835D+00 -0.803021D-02  0.441114D+01
               236           237           238           239           240 
      1   0.101402D+01  0.441114D+01  0.255873D+01 -0.149456D+01 -0.156574D+01
      2  -0.125029D+01 -0.518057D+00 -0.149456D+01  0.429995D+00  0.884014D+00
      3  -0.518057D+00 -0.332861D+01 -0.156574D+01  0.884014D+00  0.189701D+01
               241           242           243           244           245 
      1   0.410598D+01 -0.595208D+00 -0.357852D+01 -0.128548D+00 -0.166817D+01
      2  -0.595208D+00  0.556116D+00  0.832366D+00 -0.166817D+01  0.895540D+00
      3  -0.357852D+01  0.832366D+00  0.400131D+01  0.408563D+00 -0.423532D+00
               246           247           248           249           250 
      1   0.408563D+00 -0.278891D+01  0.149000D+01 -0.790046D+00  0.678357D+00
      2  -0.423532D+00  0.149000D+01 -0.453836D+01  0.197370D+01 -0.599517D+00
      3   0.714334D+00 -0.790046D+00  0.197370D+01 -0.189936D+01  0.140726D+01
               251           252           253           254           255 
      1  -0.599517D+00  0.140726D+01 -0.739887D+01 -0.148382D+01 -0.609628D+01
      2   0.212202D+01 -0.150144D+01 -0.148382D+01  0.689847D+00 -0.460174D+00
      3  -0.150144D+01  0.249673D+01 -0.609628D+01 -0.460174D+00  0.130017D+01
               256           257           258           259           260 
      1   0.263799D+01  0.224662D+01  0.111735D+01 -0.328379D+01  0.476702D+00
      2   0.224662D+01 -0.135132D+01  0.374478D+01  0.476702D+00  0.359064D+01
      3   0.111735D+01  0.374478D+01  0.267359D+01  0.267963D+01  0.115645D+01
               261           262           263           264           265 
      1   0.267963D+01  0.421407D+01 -0.133518D+01 -0.289396D+01  0.433694D+00
      2   0.115645D+01 -0.133518D+01  0.110829D+01  0.849640D+00  0.497530D+00
      3  -0.860367D+00 -0.289396D+01  0.849640D+00  0.276773D+01 -0.427313D+00
               266           267           268           269           270 
      1   0.497530D+00 -0.427313D+00 -0.405344D+01  0.124537D+01  0.392549D+01
      2  -0.607461D+00 -0.435798D+00  0.124537D+01 -0.144613D+01 -0.141342D+01
      3  -0.435798D+00  0.345343D+00  0.392549D+01 -0.141342D+01 -0.499125D+01
               271           272           273           274           275 
      1   0.380796D+00  0.875800D+00  0.165964D+00  0.146639D+01  0.364923D-01
      2   0.875800D+00 -0.702975D+00  0.242689D-01  0.364923D-01  0.584990D+01
      3   0.165964D+00  0.242689D-01 -0.324596D+00  0.270848D+00 -0.555631D+00
               276           277           278           279           280 
      1   0.270848D+00 -0.727693D+00 -0.795532D-01 -0.457844D+00  0.112923D+02
      2  -0.555631D+00 -0.795532D-01 -0.192744D+01  0.404321D+00  0.202053D+01
      3   0.125494D+01 -0.457844D+00  0.404321D+00 -0.122495D+01  0.512947D+01
               281           282           283           284           285 
      1   0.202053D+01  0.512947D+01  0.420480D+00  0.119263D+01  0.254095D+00
      2   0.152128D+01  0.124597D+01  0.119263D+01  0.643487D+00  0.417369D+00
      3   0.124597D+01  0.347884D+01  0.254095D+00  0.417369D+00 -0.114509D+00
               286           287           288           289           290 
      1   0.371963D+01  0.757242D+00  0.288271D+01 -0.184473D+01  0.173214D+00
      2   0.757242D+00  0.286793D+00  0.654757D+00  0.173214D+00 -0.921329D+00
      3   0.288271D+01  0.654757D+00  0.289609D+01  0.234559D+01 -0.586571D+00
               291           292           293           294           295 
      1   0.234559D+01 -0.543231D+00 -0.569897D+00 -0.102259D+00  0.210474D+01
      2  -0.586571D+00 -0.569897D+00  0.196081D+00  0.419544D+00 -0.987786D-01
      3  -0.345763D+01 -0.102259D+00  0.419544D+00 -0.763134D+00 -0.172052D+01
               296           297 
      1  -0.987786D-01 -0.172052D+01
      2   0.689342D+00  0.618837D+00
      3   0.618837D+00  0.627582D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.125143D+01  0.292533D+01 -0.824856D-01  0.454611D+01  0.897853D+00
      2   0.464768D+01 -0.424264D+01  0.459416D+01 -0.416822D+00 -0.489006D+01
      3  -0.127527D+02 -0.691647D+01  0.254671D+01 -0.398482D+00 -0.165367D+01
                 6             7             8             9            10 
      1  -0.250356D+01  0.490091D+01  0.303465D+01  0.110155D+01 -0.412567D+01
      2   0.177208D+01 -0.115428D+02 -0.302136D+01  0.105804D+01 -0.661920D+01
      3   0.123075D+01  0.529797D+01  0.878775D+00 -0.382473D+00  0.173542D+02
                11            12            13            14            15 
      1  -0.187764D+01  0.420529D+00 -0.892551D+01  0.484647D+01 -0.887893D+00
      2   0.100881D+01 -0.188922D+01  0.560726D+01  0.421650D+01 -0.220060D+01
      3   0.101559D+01  0.184761D+01  0.179557D+02  0.218338D+01  0.176312D+01
                16            17            18            19            20 
      1   0.293060D+01  0.617324D+01 -0.575642D+01  0.523178D-03 -0.964901D+00
      2  -0.146958D+02 -0.213148D+01 -0.290543D+00  0.420302D+01 -0.634162D+00
      3  -0.480844D+00  0.960166D+00  0.111603D+01  0.559451D+01 -0.448955D+01
                21            22            23            24            25 
      1  -0.176869D+00 -0.159467D+01 -0.198570D+01 -0.306713D+01 -0.611584D+01
      2   0.127324D+01 -0.511765D+01  0.169251D+01 -0.662803D+00 -0.101730D+02
      3   0.314702D+01  0.336547D+00  0.170562D+00 -0.152699D+01  0.826228D+01
                26            27            28            29            30 
      1   0.188942D+01 -0.386466D+01  0.235351D+01 -0.396863D+01  0.345483D+01
      2   0.169461D+01 -0.319694D+01  0.559183D+01  0.209585D+01  0.712176D+00
      3  -0.145315D+01  0.440027D+01 -0.141935D+02  0.118087D+00 -0.410530D+01
                31            32            33            34            35 
      1  -0.666152D+01  0.425171D+01 -0.445996D+00  0.707475D+01  0.623723D+01
      2   0.383138D+01  0.448961D+01  0.133126D+01 -0.928471D+01 -0.106252D+01
      3   0.193912D+02  0.361670D+01  0.189449D+01 -0.692179D+01  0.824077D+00
                36            37            38            39            40 
      1  -0.232605D+01 -0.365083D+01  0.100190D+01 -0.770274D+00  0.754241D+00
      2  -0.488409D+01  0.532204D+00 -0.454437D+01  0.358647D+01 -0.289479D+00
      3  -0.551804D+01  0.470525D+01 -0.416660D+01  0.539190D+01  0.131913D+02
                41            42            43            44            45 
      1   0.789906D-01 -0.263897D+01  0.348453D+01  0.174189D+01  0.429541D+01
      2  -0.386322D+01 -0.579976D+00 -0.980896D+01 -0.269816D+01  0.951869D+00
      3   0.327944D+00  0.320374D+01  0.402359D+01  0.209787D+00  0.714399D+00
                46            47            48            49            50 
      1   0.427399D+01  0.808126D+00 -0.207647D+01 -0.481494D+01 -0.675227D+00
      2   0.632348D+01 -0.103870D+01  0.120792D+01 -0.761591D+01  0.184518D+01
      3  -0.663965D+01 -0.414944D+01 -0.194443D+01  0.101148D+02 -0.113232D+01
                51            52            53            54            55 
      1  -0.395923D+01 -0.588219D+01  0.270429D+01 -0.133138D+01  0.266491D+01
      2   0.479763D+00 -0.672666D+01  0.259647D+01 -0.288898D+01  0.218442D+02
      3   0.160391D+01 -0.571290D+01 -0.257755D+01  0.924594D+00 -0.157557D+02
                56            57            58            59            60 
      1  -0.713866D+00 -0.129040D+01 -0.383098D+01 -0.717826D+01 -0.765226D+01
      2  -0.488822D+01 -0.374474D+01 -0.948296D+01 -0.131068D+01  0.117846D+02
      3   0.575754D+01  0.364037D+01  0.235969D+02  0.148162D+02  0.714416D+01
                61            62            63            64            65 
      1  -0.182597D+01 -0.108885D+01  0.762454D+01 -0.243052D+01 -0.651496D-01
      2  -0.267779D+02  0.111526D+02 -0.115743D+02 -0.340865D+02  0.483967D+01
      3   0.898733D+01  0.223385D+01 -0.117669D+02  0.195548D+02 -0.955750D+01
                66            67            68            69            70 
      1   0.407450D+00  0.413634D+01  0.512915D+00 -0.412560D+01 -0.168224D+00
      2   0.338207D+01  0.110392D+02  0.909252D+00 -0.146397D+02  0.390986D+01
      3  -0.295518D+01 -0.329176D+01 -0.217185D+02 -0.408046D+01 -0.120802D+02
                71            72            73            74            75 
      1   0.328692D+01 -0.372770D+00  0.968289D+01 -0.313482D+01 -0.101612D+01
      2  -0.166578D+02  0.737200D+01  0.209444D+02 -0.495710D+01  0.932821D+00
      3  -0.532858D+01  0.170069D+02 -0.175990D+02 -0.299712D+01 -0.428646D+01
                76            77            78            79            80 
      1  -0.190444D+01 -0.274685D+01  0.636689D+01 -0.335923D+01  0.137084D+02
      2  -0.382858D+01 -0.352901D+01  0.138242D+02 -0.600337D+01  0.182818D+02
      3  -0.230482D+01  0.162416D+02  0.600933D+01 -0.529891D+01  0.923063D+01
                81            82            83            84            85 
      1  -0.627360D+01 -0.636274D+01  0.308591D+01  0.293407D+01  0.563869D+01
      2  -0.108264D+02  0.260963D+02 -0.238288D+01  0.809501D+01 -0.504826D+01
      3  -0.182235D+02 -0.933539D+01  0.527712D+01  0.912283D+01  0.123602D+02
                86            87            88            89            90 
      1   0.123004D+02 -0.506808D+01  0.350197D+01  0.160075D+01 -0.479459D+01
      2  -0.299730D+01  0.117283D+02  0.620183D+01  0.116338D+02 -0.406613D+01
      3   0.276592D+02  0.179068D+00  0.126225D+02  0.549453D+01 -0.140278D+02
                91            92            93            94            95 
      1  -0.181549D+01 -0.222493D+01 -0.269362D-01 -0.555660D+01  0.188640D+01
      2   0.118246D+02 -0.837841D+00 -0.165791D+01 -0.294452D+01 -0.106788D+02
      3  -0.161577D+01 -0.858248D+00  0.102146D+01  0.149235D+02 -0.612530D+01
                96            97            98            99           100 
      1  -0.874119D+01  0.154733D+01  0.654816D-01  0.375383D-01  0.192551D+01
      2  -0.440402D+01 -0.297163D+02 -0.176322D+01  0.112333D+01 -0.230709D+02
      3   0.143415D+02  0.343812D+01  0.119032D+02  0.293159D+01  0.441429D+01
               101           102           103           104           105 
      1   0.585471D+01  0.248048D+01  0.363821D+01  0.199768D+01  0.442147D+01
      2   0.301727D+01  0.917319D+01  0.715569D+01  0.814034D+01 -0.600619D+01
      3  -0.505093D-01 -0.144285D+01  0.689087D+01  0.130689D+02 -0.998565D+01
               106           107           108           109           110 
      1  -0.114970D+01  0.456275D+01  0.221638D+00 -0.143427D+01 -0.285818D+01
      2  -0.100252D+01 -0.262204D+01  0.665856D+01  0.588129D+00 -0.151495D+01
      3  -0.100344D+01 -0.152748D+02  0.765307D+00 -0.114992D+02 -0.111772D+02
               111           112           113           114           115 
      1  -0.287141D+01 -0.233893D+00 -0.545656D+01 -0.687071D+01 -0.542987D+00
      2   0.479726D+01 -0.835076D+01 -0.758993D+01  0.122295D+02  0.579551D+01
      3   0.166329D+01 -0.509961D+01 -0.328061D+02  0.574889D+01 -0.719641D+00
               116           117           118           119           120 
      1   0.314114D+01  0.977487D+00  0.311461D+01 -0.897216D+00 -0.127317D+01
      2   0.922072D+01 -0.121992D+02  0.854649D+01 -0.348452D+01 -0.674195D+01
      3   0.111921D+02 -0.892325D+01  0.547589D+01 -0.197763D+01 -0.313369D-01
               121           122           123           124           125 
      1   0.289702D+01  0.358373D+01 -0.683108D+01 -0.238917D+01  0.194996D+01
      2   0.324164D+01 -0.482403D+01 -0.586425D+01 -0.852190D+01 -0.294597D+01
      3  -0.411166D-02  0.192191D+02  0.385723D+01  0.207518D+01  0.119300D+01
               126           127           128           129           130 
      1   0.303109D+01 -0.104530D+01  0.109748D+01  0.103567D+01  0.145603D+01
      2   0.776444D+01 -0.334648D+01  0.114203D+01 -0.955172D-01  0.213212D+01
      3   0.546454D+01 -0.334032D+01  0.544489D+00 -0.422165D+00  0.272521D+01
               131           132           133           134           135 
      1  -0.338086D+01 -0.122056D+01 -0.123480D+01  0.393812D+01 -0.730635D-01
      2   0.127566D+00 -0.165556D+01 -0.390536D+01  0.300756D+00  0.982165D+00
      3   0.132101D+01 -0.559308D+00 -0.198008D+01 -0.883528D+00  0.103902D+00
               136           137           138           139           140 
      1  -0.156310D+01 -0.236664D+01 -0.140630D+01 -0.122599D+01 -0.169955D+01
      2   0.456841D+01  0.186272D+01  0.613783D+00  0.213947D+01  0.145968D+01
      3   0.638630D+01  0.664034D+00 -0.558657D+00  0.435102D+01 -0.917461D+00
               141           142           143           144           145 
      1  -0.275810D+01  0.130128D+00  0.197613D+01  0.174393D+00  0.167385D+01
      2   0.133827D+01 -0.120538D+01 -0.532101D+00 -0.650481D+00 -0.120486D+01
      3  -0.890991D-01  0.497105D+00  0.119567D+01  0.116234D+00 -0.456069D+01
               146           147           148           149           150 
      1  -0.404558D+00  0.267774D+01 -0.754744D+00  0.481948D+00 -0.450801D+01
      2   0.139155D+00  0.517539D+00  0.887987D+00  0.537971D+00 -0.191297D+01
      3   0.924909D+00 -0.187888D+01  0.370106D+01 -0.167245D+00  0.971843D+00
               151           152           153           154           155 
      1   0.660635D+00  0.126111D+01  0.226534D+01  0.101391D+01 -0.671817D+00
      2  -0.258808D+01 -0.138242D+00  0.695546D+00  0.153540D+01  0.585992D+00
      3  -0.326218D+01  0.708568D+00 -0.127043D+01  0.733445D+01  0.850191D+00
               156           157           158           159           160 
      1  -0.208720D+01  0.167426D+01  0.169986D+01 -0.398797D+01 -0.420665D+00
      2   0.969555D+00  0.139571D-01  0.214794D+00  0.186548D+01 -0.138065D+01
      3  -0.112176D+01  0.534267D+01 -0.107210D+01 -0.517643D+00  0.659667D-02
               161           162           163           164           165 
      1   0.810548D+00  0.774149D+00  0.214642D+01  0.194098D+01 -0.550581D-01
      2   0.121538D+00 -0.543951D+00 -0.310910D+01 -0.992667D-01  0.313530D+01
      3   0.117658D+01  0.177912D+00 -0.469438D+01 -0.556972D+01 -0.225512D+01
               166           167           168           169           170 
      1   0.271636D+01  0.951246D+01 -0.251404D+00  0.725115D+00  0.180565D+01
      2  -0.129661D+01  0.380605D+01  0.410527D+01  0.270667D+01  0.236823D+01
      3  -0.296133D+01 -0.221415D+02 -0.775645D+01 -0.349508D+01 -0.311212D+01
               171           172           173           174           175 
      1   0.456480D-01 -0.190760D+01  0.875026D+00 -0.585566D+00  0.156280D+01
      2   0.386048D+01  0.310795D+01  0.571019D+00  0.261269D+01  0.248862D+01
      3  -0.297244D+01  0.446127D+01 -0.317557D+01  0.114672D+01 -0.342647D+01
               176           177           178           179           180 
      1  -0.255372D+01  0.310913D+01 -0.178909D+01  0.549302D+01 -0.685551D+01
      2   0.357148D+01 -0.830933D+01  0.207128D+01 -0.351760D+01  0.241511D+02
      3   0.233758D+01 -0.581660D+01  0.183848D+01 -0.425493D+01  0.682990D+01
               181           182           183           184           185 
      1   0.368707D+00  0.114067D+01 -0.132974D-01  0.265879D+00  0.673566D-01
      2   0.942659D+01  0.637186D-01  0.109467D+02 -0.104264D+01  0.165570D+01
      3  -0.409073D+01 -0.807015D+01 -0.434221D+00 -0.522248D+01  0.758151D+00
               186           187           188           189           190 
      1  -0.722159D+00 -0.932058D-02  0.166334D+01  0.217521D+00  0.858217D+00
      2   0.371301D+01  0.671288D+01  0.358919D+01  0.858656D+01  0.249326D+01
      3  -0.245447D+01  0.119796D+01 -0.326872D+01 -0.328692D+01  0.576993D+01
               191           192           193           194           195 
      1   0.699791D-01  0.868915D-01 -0.241520D+00  0.327026D+01 -0.668313D+01
      2   0.184672D+00  0.108343D+01  0.146262D+00  0.861265D+01 -0.922465D+01
      3  -0.192390D+00 -0.108546D+01  0.128616D+01  0.116287D+02 -0.944341D+01
               196           197           198           199           200 
      1   0.289419D+00 -0.348233D+01  0.122457D+02 -0.330879D+01  0.103707D+00
      2  -0.132113D+01 -0.121737D+02  0.210233D+02 -0.918189D+01 -0.160878D+01
      3  -0.141366D+01 -0.145503D+02  0.136758D+02  0.199107D+02  0.699480D+01
               201           202           203           204           205 
      1  -0.362247D+01 -0.340548D+00 -0.832387D+00 -0.239840D+01 -0.268076D+01
      2  -0.427846D+01 -0.780783D+00 -0.183522D+01 -0.240375D+01 -0.637476D+01
      3   0.600594D+01  0.754896D+01  0.460378D+01  0.262382D+01  0.611949D+01
               206           207           208           209           210 
      1  -0.622505D+00 -0.264682D+01 -0.590606D+01  0.200399D+01  0.508364D+01
      2  -0.415530D+01 -0.446789D+01 -0.106391D+02  0.549320D+01  0.930650D+01
      3   0.423344D+01  0.734953D+01  0.299083D+01 -0.914732D+01 -0.344442D+00
               211           212           213           214           215 
      1   0.289814D+01 -0.207966D+01 -0.409497D+01  0.502698D+01 -0.258660D+01
      2   0.373872D+01 -0.483627D+01 -0.572861D+01  0.798588D+01 -0.833172D+01
      3  -0.365642D+01  0.703764D+01  0.245963D+01 -0.976997D-01  0.604493D+01
               216           217           218           219           220 
      1  -0.484169D+01  0.685204D+00  0.237176D+01  0.109300D+01  0.126616D+01
      2  -0.914113D+01 -0.214214D+02  0.255499D+00 -0.116857D+02 -0.322161D+00
      3   0.459307D+01 -0.428714D+01  0.174509D+01 -0.205069D+01  0.355478D+01
               221           222           223           224           225 
      1  -0.267503D+00 -0.183024D-01  0.933481D+00  0.217292D+01  0.183643D+01
      2  -0.275552D+01 -0.309504D+01 -0.119084D+02 -0.878891D+00 -0.131736D+02
      3  -0.226586D+01  0.161383D+01 -0.210377D+01  0.119561D+01 -0.719336D+00
               226           227           228           229           230 
      1  -0.126321D+01 -0.198665D+01 -0.624861D+00 -0.221821D+01 -0.126997D+02
      2  -0.291261D+01  0.110340D+01  0.163649D+01  0.865758D+00 -0.272873D+01
      3  -0.555058D+01 -0.557576D+01 -0.179503D+00 -0.338892D+01 -0.364533D+02
               231           232           233           234           235 
      1  -0.334502D+01 -0.218384D+00 -0.145727D+00 -0.104817D+01  0.498751D+01
      2   0.571207D+01 -0.502825D+00  0.280015D+01  0.652388D+00 -0.935431D+01
      3   0.300913D+01 -0.417761D+00 -0.209492D+01 -0.268612D+01  0.910709D+01
               236           237           238           239           240 
      1  -0.388098D+01 -0.305078D+01 -0.317447D+01  0.182869D+01  0.133030D+01
      2   0.583966D+00  0.108916D+02  0.280701D+01 -0.203830D+01 -0.721316D+01
      3  -0.869423D+01 -0.520490D+01 -0.736724D+01  0.330265D+01  0.449019D+01
               241           242           243           244           245 
      1  -0.409541D+01  0.332109D+01  0.370546D+01 -0.212899D+01  0.116509D+01
      2   0.727623D+01 -0.269065D+01 -0.140335D+02  0.146417D+01  0.260597D+00
      3  -0.554908D+01  0.407175D+01  0.606932D+01  0.548698D+01 -0.275552D+01
               246           247           248           249           250 
      1  -0.294549D+00  0.113295D+01 -0.538347D+01 -0.564596D+00 -0.721929D+00
      2   0.253395D+01  0.467159D+00  0.486002D+01 -0.471068D+01  0.179612D+01
      3   0.156771D+01  0.741527D-02  0.136319D+02 -0.566119D+01  0.124788D+01
               251           252           253           254           255 
      1   0.320183D+01 -0.562905D+00  0.416854D+01  0.385454D+01 -0.386717D+01
      2  -0.380493D+01  0.586577D+01 -0.477510D+01  0.121504D+01  0.187810D+02
      3  -0.675660D+01  0.410741D+01 -0.457089D+01 -0.726061D+01 -0.654650D+01
               256           257           258           259           260 
      1   0.419092D+01 -0.101028D+02  0.391714D+01 -0.111888D+01  0.983467D+01
      2   0.172331D+01  0.922119D+01  0.663919D+01  0.144174D+02  0.351009D+01
      3  -0.711795D+01  0.662073D+01 -0.132825D+02 -0.739519D+01 -0.121478D+02
               261           262           263           264           265 
      1   0.602046D+01 -0.262641D+01 -0.475446D+00  0.294124D+01 -0.125904D+00
      2  -0.725490D+01 -0.776400D+01  0.329849D+01  0.953260D+01 -0.140869D+01
      3  -0.219732D+01  0.851136D+00 -0.363455D+01 -0.296885D+00 -0.126235D+01
               266           267           268           269           270 
      1  -0.769678D+00 -0.183530D-01  0.395989D+01  0.427456D+00 -0.501792D+01
      2  -0.142478D+01  0.143669D+01  0.111481D+02 -0.465142D+01 -0.182558D+02
      3   0.118453D+01  0.154777D+01 -0.427673D+00  0.494777D+01  0.152105D+01
               271           272           273           274           275 
      1   0.265037D+01 -0.196625D+01  0.116011D+01 -0.108595D+01  0.139600D+02
      2   0.720251D-01 -0.118448D+01 -0.909265D+00 -0.144202D+01 -0.147271D+01
      3  -0.366848D+01  0.295541D+01 -0.720832D+00  0.407046D+01 -0.176624D+02
               276           277           278           279           280 
      1  -0.585590D+01  0.116125D+01 -0.420276D+01  0.520013D+01 -0.140206D+01
      2   0.297437D+01 -0.165362D+01  0.122219D+01 -0.291584D+01 -0.572009D+01
      3   0.260406D+01 -0.258005D+01  0.632506D+01 -0.214240D+01  0.536806D+01
               281           282           283           284           285 
      1   0.323521D+01 -0.178671D+01  0.210766D+01  0.146015D+01 -0.413153D+00
      2   0.723013D+00  0.423506D+01 -0.117993D+00 -0.111599D+01 -0.486268D+00
      3  -0.561576D+01  0.883476D+00 -0.191558D+01 -0.145942D+01 -0.397431D+00
               286           287           288           289           290 
      1  -0.188526D+01  0.103836D+01 -0.212782D+01 -0.284908D+01 -0.307673D+01
      2   0.524119D+00  0.488252D+00  0.455587D+01  0.132392D+02 -0.138314D+01
      3   0.209964D+01 -0.126584D+01  0.822970D+00 -0.367075D+01  0.172556D+01
               291           292           293           294           295 
      1   0.320246D+01 -0.203566D+01 -0.468008D+00  0.462797D+00  0.233991D+01
      2  -0.135238D+02  0.122035D+01  0.253001D+01 -0.183645D+01 -0.117275D+02
      3   0.424149D+01  0.234469D+01 -0.109363D+01 -0.881840D+00  0.322579D+01
               296           297 
      1   0.254742D+01 -0.624205D+01
      2   0.173518D+01  0.212188D+02
      3  -0.105062D+01 -0.457378D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.111005D+01  0.152235D+02 -0.577608D+01 -0.256386D+02  0.156490D+02
      2   0.591756D+01 -0.136813D+02  0.771024D+01  0.166930D+02 -0.487556D+01
      3  -0.480752D+01 -0.154220D+01 -0.193416D+01  0.894559D+01 -0.107735D+02
      4   0.125684D+02  0.489532D+01  0.595884D+01  0.156451D+02  0.142129D+00
      5  -0.926561D+01  0.789125D+01 -0.630354D+01 -0.639958D+01 -0.281341D+01
      6   0.894276D+01  0.225188D+01  0.307347D+00 -0.526607D+01  0.952536D+01
                 6             7             8             9            10 
      1  -0.126732D+02  0.966893D+01  0.319648D+01 -0.101457D+02  0.531136D+02
      2   0.736609D+01 -0.748734D+01  0.180690D+01 -0.995186D+01 -0.279019D+02
      3   0.530708D+01 -0.218159D+01 -0.500337D+01  0.200975D+02 -0.252117D+02
      4  -0.309323D+01  0.909104D+01 -0.735493D+01  0.374782D+01 -0.329841D+01
      5  -0.214642D+01  0.392563D+01  0.345967D+01 -0.237240D+01  0.697384D+01
      6  -0.595040D+01  0.628379D+01 -0.124188D+01  0.441713D+01  0.716511D+00
                11            12            13            14            15 
      1  -0.316016D+01  0.539704D+01 -0.129379D+02 -0.173865D+02  0.711703D+01
      2   0.630214D+01 -0.556682D+01  0.399152D+01  0.133946D+02 -0.119423D+02
      3  -0.314198D+01  0.169779D+00  0.894635D+01  0.399184D+01  0.482525D+01
      4   0.718628D+01 -0.419957D+01 -0.121364D+02  0.302034D+01  0.373620D+00
      5  -0.361767D+01  0.187624D+01  0.132455D+02 -0.999722D+00  0.150286D+01
      6   0.186664D+01 -0.290330D+00 -0.178797D+01 -0.501173D+01  0.527183D+01
                16            17            18            19            20 
      1   0.188296D+01  0.835432D+01 -0.778230D+01  0.795149D+00 -0.156976D+02
      2  -0.382159D+01 -0.269112D+01 -0.795886D+00 -0.953504D+01  0.717526D+01
      3   0.193862D+01 -0.566320D+01  0.857819D+01  0.873989D+01  0.852238D+01
      4   0.154343D+02  0.322124D+01 -0.120889D+00 -0.158520D+02 -0.733268D+01
      5   0.817418D+01  0.468455D+00  0.475204D+01  0.318474D+01 -0.356845D+01
      6   0.972375D+01  0.118568D+02  0.513402D+01 -0.574575D+01 -0.567269D+01
                21            22            23            24            25 
      1   0.133055D+02  0.177539D+02  0.226066D+01 -0.351137D+01 -0.105965D+02
      2  -0.217993D+01 -0.123231D+02 -0.183171D+01  0.393971D+01  0.111028D+02
      3  -0.111256D+02 -0.543075D+01 -0.428946D+00 -0.428342D+00 -0.506356D+00
      4  -0.136845D+01  0.697346D+01 -0.550574D+01  0.600232D+01 -0.897586D+01
      5   0.736702D+01  0.288739D+01  0.749328D+01 -0.197386D+01  0.796916D+01
      6   0.108549D+01  0.126834D+02  0.878366D+01  0.478652D+01 -0.749550D+01
                26            27            28            29            30 
      1  -0.143519D+02  0.216993D+00  0.561140D+01  0.257519D+01  0.152708D+01
      2   0.148072D+02 -0.587900D+01 -0.617903D+01 -0.355432D+01 -0.235153D+01
      3  -0.455217D+00  0.566201D+01  0.567621D+00  0.979133D+00  0.824456D+00
      4  -0.768206D+00 -0.328713D+01 -0.187271D+01  0.618114D+01 -0.115386D+01
      5  -0.202529D+01 -0.480736D+01  0.416005D+01 -0.887604D+00  0.449247D+01
      6  -0.292118D+00 -0.137595D+00  0.669064D+01  0.171873D+01 -0.206161D+01
                31            32            33            34            35 
      1  -0.774072D+01 -0.175562D+02  0.537015D+01 -0.606183D+01  0.840288D+01
      2  -0.167685D+01  0.102872D+02 -0.134509D+02  0.104663D+01 -0.655499D+01
      3   0.941756D+01  0.726897D+01  0.808078D+01  0.501520D+01 -0.184789D+01
      4  -0.122082D+02 -0.233691D+01  0.791024D+00  0.159936D+02  0.377727D+01
      5   0.133815D+02  0.840151D+00  0.574029D+01  0.125753D+02  0.211758D+01
      6  -0.617941D+01 -0.750884D+01  0.393780D+01  0.365545D+01  0.100849D+02
                36            37            38            39            40 
      1  -0.380321D+01  0.958328D+01  0.220525D+02 -0.250460D+01 -0.142605D+02
      2   0.117312D+00  0.229758D+01 -0.211955D+02  0.551034D+01  0.129825D+02
      3   0.368590D+01 -0.118809D+02 -0.857007D+00 -0.300574D+01  0.127796D+01
      4   0.152608D+01  0.913057D+01 -0.698965D+00  0.627938D+01  0.111495D+02
      5  -0.113290D+01 -0.853481D+01  0.881989D+01 -0.684483D+01 -0.886276D+00
      6   0.283709D+01  0.660141D+01 -0.291988D+01 -0.871093D+00 -0.836883D+01
                41            42            43            44            45 
      1   0.782935D+01 -0.106397D+02  0.780671D+01 -0.257947D+01 -0.798159D+01
      2   0.216139D+01  0.111054D+02 -0.103781D+02  0.742979D+01 -0.660706D+01
      3  -0.999074D+01 -0.465734D+00  0.257137D+01 -0.485032D+01  0.145886D+02
      4   0.185509D+01 -0.493971D+01  0.476739D+01 -0.109807D+02  0.461108D+01
      5  -0.414962D+01 -0.332515D+01  0.800416D+01  0.430750D+01 -0.170867D+01
      6   0.132478D+02 -0.630893D+01  0.571337D+01  0.140945D+01 -0.345438D+00
                46            47            48            49            50 
      1  -0.335272D+01 -0.170853D+02  0.803259D+01  0.251407D+02 -0.446807D+01
      2  -0.679843D+01  0.889904D+01 -0.396238D+01 -0.197846D+02  0.285637D+01
      3   0.101512D+02  0.818628D+01 -0.407021D+01 -0.535617D+01  0.161170D+01
      4  -0.123211D+02 -0.992215D+01 -0.111866D+01  0.119054D+01 -0.695600D+01
      5  -0.142785D+01 -0.371703D+01  0.896061D+01  0.731377D+01  0.607800D+01
      6  -0.422245D+01 -0.783015D+01  0.513566D+01  0.109508D+02  0.126175D+02
                51            52            53            54            55 
      1  -0.319466D+01 -0.271231D+02 -0.211171D+02  0.928638D+00 -0.469297D+02
      2   0.479826D+01  0.167592D+02  0.224273D+02 -0.291047D+01  0.200043D+02
      3  -0.160360D+01  0.103639D+02 -0.131022D+01  0.198183D+01  0.269254D+02
      4   0.599480D+01 -0.860855D+01  0.147417D+01  0.242230D+00  0.118499D+02
      5   0.165592D+00  0.102480D+02 -0.192079D+01 -0.355843D+01  0.179281D+02
      6   0.654330D+01 -0.399916D+01  0.527068D+01  0.543040D+00  0.131237D+01
                56            57            58            59            60 
      1   0.107991D+02  0.142163D+02  0.249033D+02 -0.397617D+01 -0.103383D+02
      2  -0.531259D+01 -0.644170D+01 -0.202124D+02 -0.390209D+01 -0.674836D+01
      3  -0.548655D+01 -0.777460D+01 -0.469096D+01  0.787826D+01  0.170866D+02
      4  -0.173490D+02 -0.726176D+01 -0.268279D+02 -0.400802D+02 -0.176758D+02
      5  -0.773633D+01 -0.121013D+02 -0.101561D+02 -0.169919D+02  0.197539D+02
      6  -0.383728D+01 -0.181759D+01 -0.118642D+02 -0.150475D+02 -0.688145D+01
                61            62            63            64            65 
      1   0.405354D+02 -0.113553D+02  0.371140D+01 -0.458981D+02 -0.244761D+02
      2  -0.117393D+02 -0.275795D+01  0.152783D+02  0.276830D+02  0.102453D+02
      3  -0.287960D+02  0.141133D+02 -0.189897D+02  0.182150D+02  0.142308D+02
      4  -0.103608D+02 -0.669420D+01  0.153035D+02 -0.259285D+02  0.134422D+02
      5  -0.209565D+02  0.152677D+02 -0.333364D+02 -0.618998D+02  0.547784D+01
      6  -0.176108D+01 -0.357706D+01  0.532347D+01  0.709060D+00  0.273373D+00
                66            67            68            69            70 
      1  -0.572459D+02 -0.438651D+02  0.109227D+02  0.533841D+01 -0.887914D+02
      2   0.281018D+02  0.264519D+02 -0.115612D+02 -0.477081D+01  0.432895D+02
      3   0.291441D+02  0.174132D+02  0.638524D+00 -0.567599D+00  0.455019D+02
      4   0.654132D+01  0.868925D+01  0.407571D+02  0.572046D+01  0.140392D+02
      5  -0.449780D+01  0.898047D+01  0.432301D+01 -0.286105D+02 -0.908391D+01
      6   0.990225D+00  0.151094D+01 -0.322890D+00  0.838220D-01 -0.322997D+01
                71            72            73            74            75 
      1   0.964511D+01 -0.150391D+02  0.804269D+01  0.281618D+02  0.392892D+02
      2  -0.646474D+01  0.109280D+02 -0.126303D+02 -0.949936D+01 -0.173596D+02
      3  -0.318037D+01  0.411111D+01  0.458757D+01 -0.186625D+02 -0.219295D+02
      4   0.111679D+02 -0.308361D+02  0.278208D+02 -0.269611D+02 -0.236699D+02
      5  -0.312502D+02  0.122150D+02  0.396931D+02 -0.147642D+02 -0.554080D+01
      6   0.135316D+01  0.212465D+01 -0.193326D+02  0.500423D+01  0.760340D-01
                76            77            78            79            80 
      1   0.300840D+02 -0.161210D+02 -0.121507D+02  0.497845D+02 -0.207368D+02
      2  -0.131122D+02  0.195121D+02  0.790637D+01 -0.215899D+02  0.120252D+02
      3  -0.169718D+02 -0.339106D+01  0.424429D+01 -0.281946D+02  0.871159D+01
      4  -0.191018D+02 -0.171807D+02 -0.474538D+01 -0.288385D+02 -0.678130D+01
      5  -0.992473D+01 -0.492086D+01  0.289545D+02 -0.110802D+02  0.382361D+02
      6   0.367333D+01  0.562723D+01 -0.154875D+02  0.536832D+01 -0.182821D+02
                81            82            83            84            85 
      1   0.579180D+01  0.413387D+01  0.178579D+02  0.519285D+02  0.276768D+02
      2  -0.112311D+02  0.144529D+02 -0.130711D+02 -0.269923D+02 -0.228966D+02
      3   0.543925D+01 -0.185868D+02 -0.478681D+01 -0.249362D+02 -0.478029D+01
      4   0.387080D+02  0.195551D+02 -0.108160D+02 -0.572150D+01 -0.160487D+02
      5  -0.223564D+02  0.480616D+02 -0.115838D+02 -0.232739D+02 -0.226976D+02
      6   0.121988D+02 -0.342647D+01  0.250726D+01  0.324945D+01  0.355597D+01
                86            87            88            89            90 
      1  -0.112248D+02 -0.128713D+02  0.586743D+02 -0.802956D+01 -0.803296D+01
      2  -0.101038D+02  0.135314D+02 -0.316787D+02  0.102488D+02  0.542588D+01
      3   0.213286D+02 -0.660178D+00 -0.269956D+02 -0.221924D+01  0.260708D+01
      4  -0.603715D+02 -0.258551D+01 -0.101675D+02 -0.126325D+02  0.258146D+02
      5   0.126895D+01  0.289973D+02 -0.193267D+02  0.268239D+02 -0.207610D+01
      6   0.107491D+02  0.321389D+01  0.531828D+01  0.381093D+01 -0.929771D+01
                91            92            93            94            95 
      1   0.627387D+01  0.892089D+01  0.171659D+02  0.407069D+01  0.486017D+01
      2  -0.578353D+01 -0.455913D+01 -0.516592D+01  0.152542D+01  0.288346D+01
      3  -0.490348D+00 -0.436176D+01 -0.119999D+02 -0.559611D+01 -0.774363D+01
      4   0.817406D+01 -0.513089D+01 -0.447979D-01 -0.136766D+02  0.133366D+02
      5   0.139599D+02  0.160697D-01 -0.779174D+01 -0.901008D+01 -0.267622D+02
      6   0.122008D+01 -0.515839D+01 -0.667862D+00 -0.136474D+02  0.459381D+01
                96            97            98            99           100 
      1   0.410500D+01  0.305693D+02  0.141559D+01 -0.111694D+02 -0.408866D+01
      2   0.343323D+01 -0.120627D+02 -0.649552D+00  0.587595D+01 -0.800396D+00
      3  -0.753823D+01 -0.185066D+02 -0.766040D+00  0.529343D+01  0.488906D+01
      4  -0.260365D+02 -0.881552D+01 -0.215454D+02 -0.884227D+00 -0.144916D+02
      5  -0.931058D+01 -0.316066D+02 -0.511065D+00 -0.321614D+01  0.324400D+01
      6  -0.171048D+02 -0.384888D+01 -0.127474D+02 -0.456680D+01  0.143709D+01
               101           102           103           104           105 
      1  -0.100693D+02 -0.543470D+01 -0.243702D+02 -0.149883D+02  0.772892D+01
      2   0.497645D+01  0.877740D+00  0.150416D+02  0.216597D+01 -0.885319D+01
      3   0.509288D+01  0.455696D+01  0.932859D+01  0.128223D+02  0.112427D+01
      4  -0.149188D+02  0.269698D+01 -0.297453D+02 -0.210335D+02  0.190850D+02
      5   0.302282D+01  0.752012D+01  0.143989D+02  0.189088D+02 -0.125715D+02
      6   0.806229D+01 -0.784157D+00  0.932709D+01  0.403444D+01 -0.100491D+02
               106           107           108           109           110 
      1   0.723270D+01  0.583651D+01  0.142794D+02  0.450598D+02  0.255871D+02
      2   0.119091D+00 -0.280871D+01 -0.830343D+01 -0.201978D+02 -0.970783D+01
      3  -0.735179D+01 -0.302780D+01 -0.597597D+01 -0.248620D+02 -0.158793D+02
      4   0.722986D+01  0.278978D+02 -0.611434D+01  0.351155D+02  0.296921D+02
      5   0.126686D+02 -0.573763D+01 -0.326715D+01 -0.173556D+02 -0.701484D+01
      6  -0.455592D+00 -0.547379D+01  0.638246D+00 -0.693021D+01 -0.598132D+01
               111           112           113           114           115 
      1  -0.108940D+02  0.436618D+02  0.127561D+02 -0.539532D+01 -0.174340D+02
      2   0.623245D+01 -0.179390D+02  0.565642D+01  0.351719D+01  0.114491D+02
      3   0.466158D+01 -0.257228D+02 -0.184126D+02  0.187813D+01  0.598484D+01
      4  -0.494042D+01  0.403923D+02  0.687134D+02 -0.146607D+02 -0.108863D+02
      5   0.121979D+02 -0.179908D+02 -0.147604D+02  0.248770D+02  0.215113D+02
      6   0.360382D+01 -0.682823D+01 -0.171704D+02  0.139049D+02  0.384980D+01
               116           117           118           119           120 
      1  -0.187410D+01  0.218098D+01  0.418943D+00 -0.129660D+02  0.115296D+02
      2   0.129358D+01 -0.724508D+01  0.816726D+01  0.288435D+01 -0.107996D+02
      3   0.580515D+00  0.506410D+01 -0.858620D+01  0.100817D+02 -0.729997D+00
      4  -0.223701D+02  0.199077D+02 -0.108872D+02  0.929773D+01 -0.617001D+01
      5   0.193058D+02 -0.218794D+02  0.180979D+02 -0.293783D+01 -0.181816D+02
      6   0.144525D+02 -0.966658D+01 -0.198586D+01  0.224480D-02  0.282487D+01
               121           122           123           124           125 
      1  -0.228757D+02  0.307868D+01 -0.285722D+01  0.217317D+02 -0.100708D+02
      2   0.655755D+01  0.129046D+02  0.168462D+01 -0.175208D+02  0.443923D+01
      3   0.163181D+02 -0.159832D+02  0.117260D+01 -0.421094D+01  0.563152D+01
      4   0.291016D+02 -0.444163D+02 -0.129416D+02 -0.726417D+01 -0.591756D+00
      5   0.858386D+01 -0.103412D+02 -0.123145D+02 -0.218128D+02 -0.312686D+01
      6  -0.529321D+01  0.120635D+02  0.119112D+02  0.379417D+01  0.727788D+01
               126           127           128           129           130 
      1  -0.240306D+02  0.903037D+00  0.943105D+00 -0.278546D+01  0.317716D+01
      2   0.161565D+02 -0.121792D+01  0.509058D-01 -0.159846D+01 -0.256141D+01
      3   0.787405D+01  0.314885D+00 -0.994011D+00  0.438391D+01 -0.615754D+00
      4  -0.210259D+01 -0.696071D+01  0.675714D+01 -0.428510D+01  0.797821D+01
      5   0.250434D+02  0.438041D+01 -0.398597D+01  0.511806D+01 -0.414648D+01
      6   0.125320D+01 -0.452558D+01  0.470998D+01 -0.413119D+01  0.618323D+01
               131           132           133           134           135 
      1  -0.154655D+02  0.124085D+02 -0.126852D+01  0.928513D+01 -0.112130D+02
      2   0.114827D+02 -0.372270D+01 -0.794269D+00 -0.452536D+01  0.943691D+00
      3   0.398290D+01 -0.868576D+01  0.206279D+01 -0.475977D+01  0.102693D+02
      4  -0.113271D+02  0.653678D+01 -0.657810D+01  0.854724D+01 -0.691162D+01
      5   0.471921D+01 -0.441667D+01  0.536762D+01 -0.486150D+01  0.731272D+01
      6  -0.166750D+02  0.138862D+02 -0.562609D+01  0.123815D+02 -0.127908D+02
               136           137           138           139           140 
      1   0.493256D+01 -0.177902D+01  0.145610D+00 -0.392035D+01 -0.120559D+02
      2   0.691821D+00  0.509081D+01 -0.313802D+00  0.656026D+01  0.170524D+02
      3  -0.562438D+01 -0.331179D+01  0.168192D+00 -0.263991D+01 -0.499648D+01
      4   0.911143D+01  0.817915D+01 -0.192483D+01  0.101485D+02  0.130360D+02
      5  -0.623667D+01 -0.341932D+01  0.337337D+01 -0.558169D+01 -0.707381D+01
      6  -0.216534D+01 -0.225188D+01  0.228558D+01 -0.484706D+01 -0.879027D+01
               141           142           143           144           145 
      1   0.455657D+01  0.151500D+01  0.513000D+01 -0.337490D+01 -0.286514D+01
      2  -0.329227D+01 -0.186715D+01 -0.548852D+01  0.224298D+01  0.354504D+01
      3  -0.126430D+01  0.352155D+00  0.358513D+00  0.113191D+01 -0.679908D+00
      4  -0.350444D+01 -0.321966D+01 -0.290464D+01  0.259378D+01 -0.806513D+01
      5   0.527229D+01  0.278327D+01  0.308955D+01 -0.292465D+01  0.466410D+01
      6   0.636397D+01  0.263829D+01  0.512476D+01 -0.378282D+01 -0.631042D+01
               146           147           148           149           150 
      1   0.464736D+01 -0.417756D+01  0.664259D+01 -0.230608D+02  0.145370D+02
      2  -0.514160D+01  0.191382D+01 -0.748110D+01  0.259921D+02 -0.112698D+02
      3   0.494242D+00  0.226374D+01  0.838509D+00 -0.293123D+01 -0.326724D+01
      4   0.921681D+01 -0.582833D+01  0.880920D+01 -0.128928D+02  0.677607D+01
      5  -0.396902D+01  0.488338D+01 -0.388561D+01  0.346812D+01 -0.346580D+01
      6   0.645300D+01 -0.595259D+01  0.729631D+01 -0.200545D+02  0.154161D+02
               151           152           153           154           155 
      1  -0.475357D+01  0.145698D+02 -0.119843D+02  0.301230D+01 -0.353174D+01
      2   0.476325D+01 -0.139616D+02  0.707499D+01  0.645247D+01  0.124882D+02
      3  -0.968106D-02 -0.608211D+00  0.490928D+01 -0.946477D+01 -0.895648D+01
      4  -0.668959D+01  0.942749D+01 -0.672492D+01  0.153359D+02  0.154305D+02
      5   0.383590D+01 -0.359762D+01  0.475565D+01 -0.573700D+01 -0.377972D+01
      6  -0.592289D+01  0.140116D+02 -0.131226D+02 -0.168156D+01 -0.856937D+00
               156           157           158           159           160 
      1  -0.109084D+01 -0.260695D+01 -0.166627D+02  0.349901D+01  0.325954D+01
      2  -0.664232D+00  0.124030D+02  0.320618D+02 -0.537156D+01 -0.382699D+01
      3   0.175507D+01 -0.979609D+01 -0.153991D+02  0.187255D+01  0.567449D+00
      4  -0.297815D+01  0.171582D+02  0.243322D+02 -0.533339D+01 -0.319792D+01
      5   0.352941D+01 -0.633695D+01 -0.745760D+01  0.513917D+01  0.258933D+01
      6   0.278435D+01 -0.413631D+01 -0.770032D+01  0.626533D+01  0.288426D+01
               161           162           163           164           165 
      1   0.681551D+01 -0.287710D+01  0.130451D+02  0.772863D+01  0.262994D+00
      2  -0.990210D+01  0.335669D+01 -0.262771D+01 -0.229780D+01 -0.647032D+00
      3   0.308658D+01 -0.479590D+00 -0.104174D+02 -0.543083D+01  0.384038D+00
      4  -0.481167D+01  0.384014D+01  0.159619D+02  0.182648D+02  0.713958D+01
      5   0.393318D+01 -0.232552D+01  0.477797D+01  0.821772D+01  0.840149D+01
      6   0.510017D+01 -0.330167D+01  0.574269D+01  0.494395D+01  0.292310D+01
               166           167           168           169           170 
      1   0.124764D+02 -0.731023D+01 -0.272142D+01 -0.739131D+01 -0.134114D+01
      2  -0.138328D+01  0.180009D+02  0.325275D+01  0.256179D+01  0.476885D+00
      3  -0.110931D+02 -0.106907D+02 -0.531326D+00  0.482952D+01  0.864255D+00
      4   0.258742D+02  0.514570D+02  0.188203D+02  0.545916D+01  0.733567D+01
      5   0.128167D+02  0.183857D+02  0.122391D+02  0.770986D+01  0.797454D+01
      6   0.997065D+01  0.233739D+02  0.134217D+02  0.337197D+01  0.909066D+01
               171           172           173           174           175 
      1  -0.235825D+01  0.479840D+01 -0.381858D+01  0.610011D+01 -0.122911D+02
      2  -0.695415D+00 -0.747323D+01  0.258206D+01 -0.545590D+01  0.100716D+02
      3   0.305367D+01  0.267483D+01  0.123653D+01 -0.644207D+00  0.221948D+01
      4   0.850500D+01 -0.512176D+01  0.478376D+01 -0.719435D+00  0.683041D+01
      5   0.103942D+02  0.987701D+01 -0.179239D+01  0.144888D+02 -0.751947D+01
      6   0.600251D+01 -0.226505D+01  0.111086D+01 -0.989666D-01  0.286605D+01
               176           177           178           179           180 
      1  -0.152900D+01  0.547716D+01  0.438405D+01  0.262759D+01 -0.177267D+02
      2  -0.189850D+01  0.677771D+01 -0.109023D+02  0.341027D+01 -0.240723D+02
      3   0.342750D+01 -0.122549D+02  0.651824D+01 -0.603785D+01  0.417990D+02
      4  -0.338806D+01  0.997665D+01 -0.153451D+01  0.719309D+01 -0.805511D+01
      5   0.102706D+02 -0.189396D+02  0.221646D+02 -0.805423D+01  0.542961D+02
      6  -0.315668D+01  0.715620D+01 -0.100788D+01  0.600473D+01 -0.240584D+01
               181           182           183           184           185 
      1   0.121348D+03  0.121267D+02  0.385858D+02  0.166630D+02  0.140017D+02
      2  -0.649793D+02 -0.739848D+01 -0.215486D+02 -0.865105D+01 -0.558748D+01
      3  -0.563685D+02 -0.472825D+01 -0.170372D+02 -0.801191D+01 -0.841425D+01
      4   0.108071D+02  0.134530D+02  0.178583D+01  0.198643D+02  0.819642D+00
      5   0.445322D+02  0.255923D+01  0.269789D+02  0.289902D+01  0.698237D+01
      6   0.131647D+01  0.119936D+01  0.941937D+00  0.314021D+01  0.121600D+01
               186           187           188           189           190 
      1   0.288436D+01  0.455878D+02  0.189615D+01  0.264256D+02 -0.393427D-01
      2  -0.141490D+01 -0.271453D+02 -0.164080D+01 -0.188028D+02  0.151794D+01
      3  -0.146946D+01 -0.184426D+02 -0.255342D+00 -0.762277D+01 -0.147860D+01
      4   0.689338D+01  0.813098D+00  0.541446D+01  0.601050D+01 -0.932845D+01
      5   0.679007D+01  0.341838D+02  0.676014D+01  0.244754D+02  0.487345D+01
      6   0.316071D+01  0.876040D+00  0.232490D+01  0.941618D+00 -0.261264D+01
               191           192           193           194           195 
      1  -0.969599D+01  0.505659D+01 -0.658917D+01 -0.830064D+01  0.777545D+01
      2   0.461924D+01 -0.310524D+01  0.143808D+01  0.152072D+02 -0.105590D+02
      3   0.507675D+01 -0.195136D+01  0.515109D+01 -0.690660D+01  0.278354D+01
      4   0.769081D+01 -0.254416D+01  0.103512D+02 -0.243611D+02  0.176138D+02
      5  -0.151446D+01  0.550041D+01 -0.307912D+01  0.179305D+02 -0.187512D+02
      6  -0.132448D+00 -0.453807D+00  0.153266D+01 -0.141060D+02  0.156299D+02
               196           197           198           199           200 
      1   0.703797D+01  0.968942D+01 -0.113374D+02 -0.403812D+02 -0.120002D+02
      2  -0.242188D+01 -0.135287D+02  0.583551D+01  0.220503D+02  0.116414D+02
      3  -0.461609D+01  0.383928D+01  0.550194D+01  0.183309D+02  0.358884D+00
      4  -0.845821D+01  0.284806D+02 -0.265474D+02  0.108228D+02 -0.719800D+01
      5   0.850298D+01 -0.264890D+02  0.427246D+02 -0.816655D+01 -0.112975D+01
      6  -0.333410D+01  0.185555D+02 -0.258611D+02  0.799901D+01  0.334089D+01
               201           202           203           204           205 
      1  -0.160794D+02 -0.798571D+01 -0.970167D+01 -0.276094D+01 -0.178320D+02
      2   0.782413D+01  0.712863D+01  0.837008D+01  0.316102D+01  0.852267D+01
      3   0.825522D+01  0.857078D+00  0.133159D+01 -0.400082D+00  0.930934D+01
      4   0.359626D+01  0.614948D+00 -0.192195D+01 -0.323151D+00  0.537322D+01
      5  -0.663065D+01 -0.110837D+00 -0.156417D+01 -0.449843D+01 -0.302168D+01
      6   0.675864D+01  0.255639D+01  0.232266D+01  0.517245D+01  0.447368D+01
               206           207           208           209           210 
      1  -0.536728D+01 -0.137934D+02  0.554962D+02 -0.253003D+02 -0.209512D+02
      2   0.519028D+01  0.690019D+01 -0.197430D+02  0.281319D+01  0.905667D+01
      3   0.176998D+00  0.689323D+01 -0.357533D+02  0.224871D+02  0.118945D+02
      4  -0.457970D+01 -0.410394D+01 -0.488351D+02  0.390860D+02  0.184407D+02
      5  -0.748616D+01 -0.581641D+01 -0.277612D+02  0.138889D+02  0.198689D+02
      6   0.680483D+01  0.510677D+01  0.119047D+02 -0.734095D+01 -0.861690D+01
               211           212           213           214           215 
      1  -0.182416D+02  0.147860D+02  0.529166D+01 -0.264911D+02  0.105351D+02
      2   0.279354D+00  0.298520D+01  0.958020D+00  0.106521D+02  0.241915D+00
      3   0.179623D+02 -0.177712D+02 -0.624968D+01  0.158390D+02 -0.107770D+02
      4   0.333329D+02 -0.312065D+02 -0.131722D+02  0.265102D+02 -0.228936D+02
      5   0.111183D+02 -0.117193D+02 -0.111162D+02  0.247911D+02 -0.188801D+02
      6  -0.692064D+01  0.778945D+01  0.823101D+01 -0.108212D+02  0.112232D+02
               216           217           218           219           220 
      1   0.128358D+02 -0.440009D+02 -0.324619D+01 -0.208711D+02 -0.502780D+01
      2  -0.528495D+01  0.155359D+02  0.148007D+01  0.226334D+01  0.296294D+01
      3  -0.755081D+01  0.284649D+02  0.176612D+01  0.186078D+02  0.206485D+01
      4  -0.218204D+02 -0.768437D+01 -0.510719D+01  0.560315D+00 -0.392357D+00
      5  -0.203588D+02  0.210516D+01  0.283708D+01 -0.953428D+01  0.148117D+01
      6   0.959525D+01  0.812378D+00  0.341048D+01 -0.149970D+01  0.182932D+01
               221           222           223           224           225 
      1  -0.535651D+01 -0.166836D+01 -0.200911D+02  0.344514D+00 -0.186814D+02
      2   0.398067D+01 -0.137661D+01  0.462707D+01 -0.135939D+01 -0.123208D+01
      3   0.137584D+01  0.304496D+01  0.154640D+02  0.101487D+01  0.199135D+02
      4   0.500554D+01 -0.281111D+01 -0.122828D+01 -0.287226D+01 -0.291665D+01
      5  -0.203582D+01 -0.541136D+01 -0.241861D+00 -0.124977D+01 -0.122832D+02
      6  -0.787119D+00  0.302311D+01 -0.138653D+01  0.268312D+01 -0.981923D+00
               226           227           228           229           230 
      1   0.919851D+01  0.114169D+02 -0.600606D+01  0.148104D+02  0.241684D+01
      2  -0.291677D+01 -0.241733D+01  0.359528D+01 -0.242863D+01  0.221303D+02
      3  -0.628174D+01 -0.899952D+01  0.241078D+01 -0.123817D+02 -0.245472D+02
      4   0.144023D+02  0.177536D+02 -0.101931D+01  0.259682D+02  0.777309D+02
      5  -0.742336D+01 -0.224930D+01  0.613906D+01 -0.680362D+01 -0.998801D+01
      6  -0.214844D+01 -0.273365D+01  0.888995D+00 -0.549570D+01 -0.192789D+02
               231           232           233           234           235 
      1   0.813936D+00 -0.142424D+01  0.289133D+01 -0.390479D-01  0.676528D+02
      2   0.110814D+01  0.169812D+01  0.664025D+00  0.965186D+00 -0.458421D+02
      3  -0.192208D+01 -0.273883D+00 -0.355535D+01 -0.926138D+00 -0.218107D+02
      4  -0.806964D+01  0.147254D+01  0.446907D+01  0.621980D+01 -0.745868D+01
      5   0.110139D+02  0.493076D+01  0.593758D+01  0.399835D-01 -0.559873D+02
      6   0.751746D+01  0.949910D+00  0.580087D+01 -0.857633D+00  0.249384D+01
               236           237           238           239           240 
      1  -0.990103D+01 -0.360986D+02 -0.221802D+02  0.111116D+02  0.102962D+02
      2   0.711869D+01  0.285559D+02  0.153764D+02 -0.559401D+01 -0.102492D+02
      3   0.278234D+01  0.754266D+01  0.680374D+01 -0.551761D+01 -0.469864D-01
      4   0.137051D+02  0.326426D+01  0.151668D+02 -0.484977D+01 -0.842321D+01
      5   0.714801D+01  0.420102D+02  0.195134D+02 -0.106304D+02 -0.199949D+02
      6  -0.500189D+01 -0.104157D+01 -0.570209D+01  0.307683D+01  0.443567D+01
               241           242           243           244           245 
      1  -0.340082D+02  0.337428D+01  0.231072D+02  0.226721D+01 -0.719252D+01
      2   0.286976D+02 -0.433546D+01 -0.268770D+02 -0.534352D+00  0.352305D+01
      3   0.531060D+01  0.961183D+00  0.376982D+01 -0.173286D+01  0.366947D+01
      4   0.344189D+01 -0.585488D+01 -0.617287D+01 -0.117259D+02  0.932501D+01
      5   0.446991D+02 -0.851305D+01 -0.447273D+02  0.574329D+01 -0.498644D+01
      6  -0.157377D+01  0.386684D+01  0.182424D+01 -0.644236D+01  0.308152D+01
               246           247           248           249           250 
      1   0.106655D+01 -0.954642D+01 -0.457907D+01  0.396376D+01 -0.992545D-01
      2  -0.129521D+01  0.386094D+01  0.707822D+01 -0.901096D+00 -0.188172D+01
      3   0.228657D+00  0.568548D+01 -0.249915D+01 -0.306267D+01  0.198098D+01
      4  -0.450051D+01  0.134889D+02 -0.292385D+02  0.132526D+02 -0.569992D+01
      5   0.758892D+01 -0.670278D+01  0.135796D+02 -0.126452D+02  0.115506D+02
      6  -0.192409D+01  0.528620D+01 -0.161225D+02  0.102175D+02 -0.355498D+01
               251           252           253           254           255 
      1   0.200280D+01 -0.298523D+01 -0.316852D+02 -0.113583D+02 -0.455086D+02
      2   0.122437D+01 -0.350547D+01  0.362161D+02  0.108149D+02  0.137634D+02
      3  -0.322717D+01  0.649070D+01 -0.453093D+01  0.543388D+00  0.317452D+02
      4   0.137773D+02 -0.102783D+02 -0.175828D+02  0.281717D+01 -0.130762D+02
      5  -0.988758D+01  0.154515D+02 -0.556701D+02 -0.845922D+01 -0.153095D+02
      6   0.106115D+02 -0.831897D+01 -0.115776D+02  0.153826D+01  0.491175D+00
               256           257           258           259           260 
      1  -0.222167D+01  0.278060D+01 -0.145214D+02 -0.387664D+02 -0.129590D+02
      2   0.363193D+01 -0.202085D+02  0.939997D+01  0.105877D+02  0.144729D+02
      3  -0.141026D+01  0.174279D+02  0.512139D+01  0.281786D+02 -0.151387D+01
      4   0.114283D+02 -0.700253D+01  0.189614D+02 -0.651277D+01  0.175495D+02
      5   0.172172D+01  0.230783D+02  0.101477D+02 -0.394505D+01  0.355892D+01
      6   0.944044D+01  0.396558D+01  0.174249D+02  0.545110D+01  0.130611D+02
               261           262           263           264           265 
      1   0.111630D+02  0.343920D+02 -0.820096D+01 -0.216991D+02  0.386715D+01
      2   0.485206D+01 -0.225045D+02  0.462454D+01  0.157374D+02 -0.473803D+01
      3  -0.160151D+02 -0.118875D+02  0.357642D+01  0.596169D+01  0.870875D+00
      4   0.916521D+01 -0.154951D+02  0.101530D+02  0.998469D+01  0.512650D+01
      5   0.260314D+01 -0.312177D+02  0.852063D+01  0.272709D+02 -0.435739D+01
      6   0.344995D+01  0.574037D+01 -0.281255D+01 -0.499645D+01 -0.174349D+01
               266           267           268           269           270 
      1   0.188597D+01 -0.384445D+01 -0.269477D+02  0.619033D+01  0.197859D+02
      2  -0.729861D+00  0.458990D+01  0.217178D+02 -0.432565D+01 -0.219391D+02
      3  -0.115611D+01 -0.745442D+00  0.522986D+01 -0.186468D+01  0.215327D+01
      4  -0.488135D+01 -0.394953D+01  0.143881D+02 -0.123420D+02 -0.147302D+02
      5  -0.420212D+01  0.408962D+01  0.384971D+02 -0.126462D+02 -0.448669D+02
      6   0.186822D+01  0.258644D+01 -0.697743D+01  0.527061D+01  0.931281D+01
               271           272           273           274           275 
      1   0.978446D+00  0.771444D+01  0.349955D+01  0.765795D+01 -0.170812D+02
      2   0.145058D+01 -0.704873D+01  0.215226D+00 -0.471427D+01  0.352027D+02
      3  -0.242903D+01 -0.665710D+00 -0.371478D+01 -0.294368D+01 -0.181215D+02
      4   0.439419D+01  0.601923D+00  0.903392D+00  0.601734D+01  0.286748D+02
      5   0.253025D+01  0.305311D+01  0.151211D+01  0.513871D+01 -0.592573D+01
      6   0.195809D+01 -0.201260D+01 -0.110653D+01  0.549521D+00  0.143035D+02
               276           277           278           279           280 
      1   0.172287D+00 -0.125486D+01  0.464758D+01 -0.210868D+01  0.676192D+02
      2  -0.668738D+01  0.217050D+01 -0.105153D+02  0.489977D+01 -0.478068D+02
      3   0.651509D+01 -0.915644D+00  0.586769D+01 -0.279109D+01 -0.198124D+02
      4  -0.256892D+01 -0.154286D+01 -0.100844D+02  0.143139D+01  0.273093D+02
      5   0.728960D+01 -0.938739D+00  0.279864D+01 -0.821352D+01  0.645809D+02
      6   0.345890D+01 -0.115252D+01 -0.165816D+01 -0.272375D+01  0.120980D+02
               281           282           283           284           285 
      1   0.693244D+01  0.230277D+02  0.862138D+00  0.570560D+01  0.160613D+01
      2  -0.371562D+01 -0.229365D+02  0.149422D+01 -0.110812D+01 -0.138691D+00
      3  -0.321682D+01 -0.911702D-01 -0.235636D+01 -0.459748D+01 -0.146744D+01
      4   0.150852D+02  0.135152D+02  0.127132D+02  0.656716D+01  0.487185D+01
      5   0.120008D+02  0.394461D+02  0.313853D+01  0.646053D+01  0.113639D+01
      6   0.878918D+01  0.923781D+01  0.687191D+01  0.313015D+01  0.386019D+01
               286           287           288           289           290 
      1   0.169839D+02  0.228469D+01  0.858148D+01 -0.148908D+02  0.495513D+01
      2  -0.186272D+02 -0.298544D+01 -0.165855D+02 -0.222803D+01 -0.281056D+01
      3   0.164329D+01  0.700747D+00  0.800404D+01  0.171188D+02 -0.214457D+01
      4   0.992375D+01  0.450377D+01  0.661971D+01 -0.332727D+01 -0.264513D+01
      5   0.335579D+02  0.622058D+01  0.278224D+02  0.991353D+00 -0.106408D+01
      6   0.686394D+01  0.417937D+01  0.704624D+01  0.367692D+01 -0.572150D+01
               291           292           293           294           295 
      1   0.272210D+02 -0.123021D+01 -0.649914D+01  0.202275D+01  0.185631D+02
      2   0.190985D+01 -0.385171D+00  0.259128D+01  0.258671D+01 -0.113697D+01
      3  -0.291308D+02  0.161538D+01  0.390786D+01 -0.460946D+01 -0.174261D+02
      4   0.313401D+01 -0.129982D+01 -0.374818D+00  0.839751D+00  0.464164D+01
      5  -0.245080D+01 -0.102980D+01 -0.145094D+01 -0.361753D+01  0.434974D+01
      6  -0.727005D+01 -0.346800D+01  0.719738D+00  0.496483D+01 -0.294619D+01
               296           297 
      1  -0.353657D+01 -0.359196D+02
      2   0.152883D+00 -0.123102D+02
      3   0.338369D+01  0.482299D+02
      4   0.182570D+01 -0.263990D+01
      5   0.209968D+01  0.170175D+02
      6   0.657879D+01  0.116881D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x         -0.450098D+00     -0.114403D+01     -0.381609D+01
   y         -0.500508D+00     -0.127216D+01     -0.424348D+01
   z          0.146421D+00      0.372165D+00      0.124141D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.200171D+03      0.296622D+02      0.330037D+02
   yx         0.559380D+01      0.828915D+00      0.922293D+00
   yy         0.144713D+03      0.214442D+02      0.238599D+02
   zx         0.708171D+01      0.104940D+01      0.116762D+01
   zy        -0.833210D+01     -0.123469D+01     -0.137378D+01
   zz         0.130555D+03      0.193463D+02      0.215257D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169186D+03      0.250707D+02      0.278950D+02
   aniso      0.701365D+02      0.103932D+02      0.115639D+02
   xx         0.212576D+03      0.315005D+02      0.350490D+02
   yx         0.612240D+01      0.907247D+00      0.100945D+01
   yy         0.154918D+03      0.229564D+02      0.255425D+02
   zx         0.767583D+01      0.113744D+01      0.126557D+01
   zy        -0.872418D+01     -0.129279D+01     -0.143842D+01
   zz         0.140064D+03      0.207553D+02      0.230934D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.56020495         -0.08751731         -0.43312935
     6         -2.33456434         -0.21033613          2.19206974
     6         -0.46529858         -0.30452154         -1.99364444
     6          1.93626738         -0.66447071         -0.97198986
     6          2.17193891         -0.82340903          1.64158988
     6          0.06988398         -0.59650242          3.19661397
     6         -4.60442520          0.09901188          3.88033753
     6         -5.18909199          2.85112759          4.67842099
     6         -5.84057765          4.53180352          2.42251151
     6         -3.06139518          4.01200298          6.24793572
     6          4.24908743         -0.85373927         -2.66465964
     6          3.88190916         -3.02729133         -4.49662185
     8          3.03565785         -2.86308256         -6.60185448
     8          4.57357438         -5.26144119         -3.46633066
     1         -4.40985207          0.17209048         -1.26993407
     1         -0.70079862         -0.22179664         -4.02439720
     1          4.01722326         -1.13624541          2.47120205
     1          0.30215328         -0.73432517          5.22540443
     1         -4.33460030         -1.02514809          5.59200429
     1         -6.26930349         -0.66251348          2.92399482
     1         -6.86880239          2.73619165          5.88316847
     1         -7.39671904          3.74432295          1.31846573
     1         -4.22007614          4.75091680          1.16494084
     1         -6.40288546          6.41294903          3.05627939
     1         -1.33795859          4.21260091          5.13205527
     1         -2.61761014          2.85009163          7.89538121
     1         -3.59546318          5.88746097          6.92170756
     1          5.85959699         -1.33286771         -1.47095916
     6          4.77744333          1.61103491         -4.08015094
     1          4.19204233         -6.56161297         -4.70148150
     1          3.21839007          2.07611468         -5.33919721
     1          6.48918729          1.45617621         -5.21831910
     1          5.01580310          3.14861423         -2.73052678

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.688865D+00      0.175092D+01      0.584044D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.169371D+03      0.250982D+02      0.279255D+02
   yx        -0.170667D+02     -0.252902D+01     -0.281391D+01
   yy         0.132401D+03      0.196199D+02      0.218300D+02
   zx        -0.240454D+02     -0.356316D+01     -0.396455D+01
   zy         0.109752D+02      0.162636D+01      0.180957D+01
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169186D+03      0.250707D+02      0.278950D+02
   aniso      0.701365D+02      0.103932D+02      0.115639D+02
   xx         0.180637D+03      0.267677D+02      0.297831D+02
   yx        -0.175866D+02     -0.260607D+01     -0.289964D+01
   yy         0.141682D+03      0.209951D+02      0.233603D+02
   zx        -0.251403D+02     -0.372542D+01     -0.414508D+01
   zy         0.112143D+02      0.166179D+01      0.184899D+01
   zz         0.185238D+03      0.274494D+02      0.305416D+02

 ----------------------------------------------------------------------
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 WHAT, THEN, IS TIME?  IF NO ONE ASKS ME, I KNOW WHAT IT IS.
 IF I WISH TO EXPLAIN WHAT IT IS TO HIM WHO ASKS ME, I DO NOT KNOW.
                                   -- ST. AUGUSTINE (FIFTH CENTURY)
 Job cpu time:       1 days 17 hours 13 minutes 35.7 seconds.
 Elapsed time:       0 days  5 hours  9 minutes 20.9 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 17:39:00 2021.
